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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:11:40 UTC

Update Date

2022-03-07 02:55:57 UTC

HMDB ID

HMDB0038847

Secondary Accession Numbers

HMDB38847

Metabolite Identification

Common Name

Apigenin 7-[rhamnosyl-(1->2)-galacturonide]

Description

Apigenin 7-[rhamnosyl-(1->2)-galacturonide] is found in green vegetables. Apigenin 7-[rhamnosyl-(1->2)-galacturonide] is isolated from flowers of Silybum marianum (milk thistle) Apigenin is a flavone that is the aglycone of several glycosides. It is a yellow crystalline solid that has been used to dye wool. Apigenin is a plant-derived flavonoid that has significant promise as a skin cancer chemopreventive agent. Apigenin inhibits the expression of involucrin (hINV), a marker of keratinocyte differentiation, is increased by differentiating agents via a protein kinase Cdelta (PKCdelta), Ras, MEKK1, MEK3 cascade that increases AP1 factor level and AP1 factor binding to DNA elements in the hINV promoter. Apigenin suppresses the 12-O-tetradeconylphorbol-13-acetate-dependent increase in AP1 factor expression and binding to the hINV promoter and the increase in hINV promoter activity. Apigenin also inhibits the increase in promoter activity observed following overexpression of PKCdelta, constitutively active Ras, or MEKK1. The suppression of PKCdelta activity is associated with reduced phosphorylation of PKCdelta-Y311. Activation of hINV promoter activity by the green tea polyphenol, (-)-epigellocathecin-3-gallate, is also inhibited by apigenin, suggesting that the two chemopreventive agents can produce opposing actions in keratinocytes. (PMID: 16982614 ); Apigenin, a flavone abundantly found in fruits and vegetables, exhibits antiproliferative, anti-inflammatory, and antimetastatic activities through poorly defined mechanisms. This flavonoid provides selective activity to promote caspase-dependent-apoptosis of leukemia cells and uncover an essential role of PKCdelta during the induction of apoptosis by apigenin. (PMID: 16844095 ); Apigenin markedly induces the expression of death receptor 5 (DR5) and synergistically acts with exogenous soluble recombinant human tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) to induce apoptosis in malignant tumor cells. On the other hand, apigenin-mediated induction of DR5 expression is not observed in normal human peripheral blood mononuclear cells. Moreover, apigenin does not sensitize normal human peripheral blood mononuclear cells to TRAIL-induced apoptosis. (PMID: 16648565 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 05061310412D          

 42 46  0  0  0  0            999 V2000
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 41 23  1  0  0  0  0
 41 27  1  0  0  0  0
 42 24  1  0  0  0  0
 42 26  1  0  0  0  0
M  END

HMDB0038847
     RDKit          3D
Apigenin 7-[rhamnosyl-(1->2)-galacturonide]
 70 74  0  0  0  0  0  0  0  0999 V2000
   -5.5704   -1.3178   -1.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0850   -1.0440   -1.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39 67  1  0
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 42 70  1  0
M  END


  Mrv0541 05061310412D          

 42 46  0  0  0  0            999 V2000
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 15 10  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 17 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18  9  1  0  0  0  0
 19 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  1  0  0  0  0
 27 24  1  0  0  0  0
 28 11  1  0  0  0  0
 29 13  1  0  0  0  0
 30 14  2  0  0  0  0
 31 18  1  0  0  0  0
 32 19  1  0  0  0  0
 33 20  1  0  0  0  0
 34 21  1  0  0  0  0
 35 22  1  0  0  0  0
 36 25  2  0  0  0  0
 37 25  1  0  0  0  0
 38  9  1  0  0  0  0
 38 26  1  0  0  0  0
 39 12  1  0  0  0  0
 39 27  1  0  0  0  0
 40 15  1  0  0  0  0
 40 16  1  0  0  0  0
 41 23  1  0  0  0  0
 41 27  1  0  0  0  0
 42 24  1  0  0  0  0
 42 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038847

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1OC(OC2C(O)C(O)C(OC2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)=O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H28O15/c1-9-18(31)19(32)22(35)26(38-9)42-24-21(34)20(33)23(25(36)37)41-27(24)39-12-6-13(29)17-14(30)8-15(40-16(17)7-12)10-2-4-11(28)5-3-10/h2-9,18-24,26-29,31-35H,1H3,(H,36,37)

> <INCHI_KEY>
ONIIEJMYZDRHKM-UHFFFAOYSA-N

> <FORMULA>
C27H28O15

> <MOLECULAR_WEIGHT>
592.5022

> <EXACT_MASS>
592.142820226

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
57.15899183317121

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

> <ALOGPS_LOGP>
0.79

> <JCHEM_LOGP>
0.034969899333333526

> <ALOGPS_LOGS>
-2.40

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.305522308583694

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.797027013091341

> <JCHEM_PKA_STRONGEST_BASIC>
-3.676506704224754

> <JCHEM_POLAR_SURFACE_AREA>
242.12999999999994

> <JCHEM_REFRACTIVITY>
135.79529999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.36e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038847
     RDKit          3D
Apigenin 7-[rhamnosyl-(1->2)-galacturonide]
 70 74  0  0  0  0  0  0  0  0999 V2000
   -5.5704   -1.3178   -1.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0850   -1.0440   -1.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0329    0.0516   -0.3765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7466    0.4602   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4051   -0.0397    1.1816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2504    0.9363    2.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7982    0.8920    2.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4089   -0.4440    2.6375 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5907   -1.0660    1.9354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880   -2.4169    2.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7923   -3.1172    1.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9373   -4.4427    1.6949 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5976   -2.4499    0.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6112   -3.0198   -0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8510   -4.2563   -0.0317 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3504   -2.2628   -1.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1260   -0.9353   -1.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9126   -0.1370   -2.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6498    1.2127   -2.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3836    2.0190   -3.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4020    1.4605   -3.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1529    2.2251   -4.7243 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6822    0.1349   -3.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9350   -0.6574   -2.8528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1444   -0.4014   -0.4846 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4039   -1.0779    0.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999   -0.4064    1.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5819    1.4179    3.8680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4855    2.3742    4.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3446    3.6188    3.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4719    3.6604    2.5991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1283    4.7361    3.6970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9021    1.8657    4.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1717    1.4152    5.6028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1050    0.7056    3.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7268   -0.5030    3.9454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7570    0.1943   -1.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2806   -1.1150   -1.1281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    0.3415   -2.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6022    0.3845   -3.4784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4358   -0.8716   -2.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7092   -2.0330   -2.8059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6829   -2.1952   -2.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1582   -1.3751   -0.5522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9504   -0.4199   -2.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7216   -1.9758   -0.6696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8142    1.5820    0.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4348    1.9336    1.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1656    1.4447    1.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1674   -2.9318    2.8242 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5466   -5.0874    1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1445   -2.7925   -1.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8562    1.6707   -1.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1822    3.0739   -3.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9969    2.6989   -4.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4840   -0.2958   -4.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2218   -1.6859   -2.8144 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2814    0.6465    0.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2115    2.6447    5.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5266    5.2142    2.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5740    2.7213    4.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3744    1.2443    6.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1926    0.6774    3.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9969   -0.5856    4.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    0.8996   -1.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7005   -1.2419   -1.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1656    1.2379   -2.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0409    0.2000   -4.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1779   -0.6578   -3.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2449   -2.7361   -3.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 17 25  1  0
 25 26  1  0
 26 27  2  0
  7 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 29 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
  4 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41  2  1  0
 35  6  1  0
 27  9  1  0
 26 13  1  0
 24 18  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  2 46  1  0
  4 47  1  0
  6 48  1  0
  7 49  1  0
 10 50  1  0
 12 51  1  0
 16 52  1  0
 19 53  1  0
 20 54  1  0
 22 55  1  0
 23 56  1  0
 24 57  1  0
 27 58  1  0
 29 59  1  0
 32 60  1  0
 33 61  1  0
 34 62  1  0
 35 63  1  0
 36 64  1  0
 37 65  1  0
 38 66  1  0
 39 67  1  0
 40 68  1  0
 41 69  1  0
 42 70  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       0.000   4.620   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -2.667   4.620   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
CONECT    1    9                                                            
CONECT    2    4   10                                                       
CONECT    3    5   10                                                       
CONECT    4    2   11                                                       
CONECT    5    3   11                                                       
CONECT    6   12   13                                                       
CONECT    7   12   16                                                       
CONECT    8   14   15                                                       
CONECT    9    1   18   38                                                  
CONECT   10    2    3   15                                                  
CONECT   11    4    5   28                                                  
CONECT   12    6    7   39                                                  
CONECT   13    6   17   29                                                  
CONECT   14    8   17   30                                                  
CONECT   15    8   10   40                                                  
CONECT   16    7   17   40                                                  
CONECT   17   13   14   16                                                  
CONECT   18    9   19   31                                                  
CONECT   19   18   22   32                                                  
CONECT   20   21   23   33                                                  
CONECT   21   20   24   34                                                  
CONECT   22   19   26   35                                                  
CONECT   23   20   25   41                                                  
CONECT   24   21   27   42                                                  
CONECT   25   23   36   37                                                  
CONECT   26   22   38   42                                                  
CONECT   27   24   39   41                                                  
CONECT   28   11                                                            
CONECT   29   13                                                            
CONECT   30   14                                                            
CONECT   31   18                                                            
CONECT   32   19                                                            
CONECT   33   20                                                            
CONECT   34   21                                                            
CONECT   35   22                                                            
CONECT   36   25                                                            
CONECT   37   25                                                            
CONECT   38    9   26                                                       
CONECT   39   12   27                                                       
CONECT   40   15   16                                                       
CONECT   41   23   27                                                       
CONECT   42   24   26                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

COMPND    HMDB0038847
HETATM    1  C1  UNL     1      -5.570  -1.318  -1.466  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.085  -1.044  -1.189  1.00  0.00           C  
HETATM    3  O1  UNL     1      -4.033   0.052  -0.376  1.00  0.00           O  
HETATM    4  C3  UNL     1      -2.747   0.460  -0.046  1.00  0.00           C  
HETATM    5  O2  UNL     1      -2.405  -0.040   1.182  1.00  0.00           O  
HETATM    6  C4  UNL     1      -2.250   0.936   2.161  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.798   0.892   2.609  1.00  0.00           C  
HETATM    8  O3  UNL     1      -0.409  -0.444   2.638  1.00  0.00           O  
HETATM    9  C6  UNL     1       0.591  -1.066   1.935  1.00  0.00           C  
HETATM   10  C7  UNL     1       0.788  -2.417   2.138  1.00  0.00           C  
HETATM   11  C8  UNL     1       1.792  -3.117   1.454  1.00  0.00           C  
HETATM   12  O4  UNL     1       1.937  -4.443   1.695  1.00  0.00           O  
HETATM   13  C9  UNL     1       2.598  -2.450   0.563  1.00  0.00           C  
HETATM   14  C10 UNL     1       3.611  -3.020  -0.166  1.00  0.00           C  
HETATM   15  O5  UNL     1       3.851  -4.256  -0.032  1.00  0.00           O  
HETATM   16  C11 UNL     1       4.350  -2.263  -1.023  1.00  0.00           C  
HETATM   17  C12 UNL     1       4.126  -0.935  -1.195  1.00  0.00           C  
HETATM   18  C13 UNL     1       4.913  -0.137  -2.106  1.00  0.00           C  
HETATM   19  C14 UNL     1       4.650   1.213  -2.255  1.00  0.00           C  
HETATM   20  C15 UNL     1       5.384   2.019  -3.122  1.00  0.00           C  
HETATM   21  C16 UNL     1       6.402   1.460  -3.854  1.00  0.00           C  
HETATM   22  O6  UNL     1       7.153   2.225  -4.724  1.00  0.00           O  
HETATM   23  C17 UNL     1       6.682   0.135  -3.727  1.00  0.00           C  
HETATM   24  C18 UNL     1       5.935  -0.657  -2.853  1.00  0.00           C  
HETATM   25  O7  UNL     1       3.144  -0.401  -0.485  1.00  0.00           O  
HETATM   26  C19 UNL     1       2.404  -1.078   0.351  1.00  0.00           C  
HETATM   27  C20 UNL     1       1.400  -0.406   1.044  1.00  0.00           C  
HETATM   28  O8  UNL     1      -0.582   1.418   3.868  1.00  0.00           O  
HETATM   29  C21 UNL     1      -1.486   2.374   4.281  1.00  0.00           C  
HETATM   30  C22 UNL     1      -1.345   3.619   3.494  1.00  0.00           C  
HETATM   31  O9  UNL     1      -0.472   3.660   2.599  1.00  0.00           O  
HETATM   32  O10 UNL     1      -2.128   4.736   3.697  1.00  0.00           O  
HETATM   33  C23 UNL     1      -2.902   1.866   4.316  1.00  0.00           C  
HETATM   34  O11 UNL     1      -3.172   1.415   5.603  1.00  0.00           O  
HETATM   35  C24 UNL     1      -3.105   0.706   3.363  1.00  0.00           C  
HETATM   36  O12 UNL     1      -2.727  -0.503   3.945  1.00  0.00           O  
HETATM   37  C25 UNL     1      -1.757   0.194  -1.140  1.00  0.00           C  
HETATM   38  O13 UNL     1      -1.281  -1.115  -1.128  1.00  0.00           O  
HETATM   39  C26 UNL     1      -2.533   0.341  -2.457  1.00  0.00           C  
HETATM   40  O14 UNL     1      -1.602   0.384  -3.478  1.00  0.00           O  
HETATM   41  C27 UNL     1      -3.436  -0.872  -2.537  1.00  0.00           C  
HETATM   42  O15 UNL     1      -2.709  -2.033  -2.806  1.00  0.00           O  
HETATM   43  H1  UNL     1      -5.683  -2.195  -2.112  1.00  0.00           H  
HETATM   44  H2  UNL     1      -6.158  -1.375  -0.552  1.00  0.00           H  
HETATM   45  H3  UNL     1      -5.950  -0.420  -2.037  1.00  0.00           H  
HETATM   46  H4  UNL     1      -3.722  -1.976  -0.670  1.00  0.00           H  
HETATM   47  H5  UNL     1      -2.814   1.582   0.065  1.00  0.00           H  
HETATM   48  H6  UNL     1      -2.435   1.934   1.761  1.00  0.00           H  
HETATM   49  H7  UNL     1      -0.166   1.445   1.902  1.00  0.00           H  
HETATM   50  H8  UNL     1       0.167  -2.932   2.824  1.00  0.00           H  
HETATM   51  H9  UNL     1       2.547  -5.087   1.340  1.00  0.00           H  
HETATM   52  H10 UNL     1       5.144  -2.792  -1.571  1.00  0.00           H  
HETATM   53  H11 UNL     1       3.856   1.671  -1.691  1.00  0.00           H  
HETATM   54  H12 UNL     1       5.182   3.074  -3.242  1.00  0.00           H  
HETATM   55  H13 UNL     1       7.997   2.699  -4.428  1.00  0.00           H  
HETATM   56  H14 UNL     1       7.484  -0.296  -4.307  1.00  0.00           H  
HETATM   57  H15 UNL     1       6.222  -1.686  -2.814  1.00  0.00           H  
HETATM   58  H16 UNL     1       1.281   0.646   0.855  1.00  0.00           H  
HETATM   59  H17 UNL     1      -1.212   2.645   5.322  1.00  0.00           H  
HETATM   60  H18 UNL     1      -2.527   5.214   2.907  1.00  0.00           H  
HETATM   61  H19 UNL     1      -3.574   2.721   4.113  1.00  0.00           H  
HETATM   62  H20 UNL     1      -2.374   1.244   6.132  1.00  0.00           H  
HETATM   63  H21 UNL     1      -4.193   0.677   3.130  1.00  0.00           H  
HETATM   64  H22 UNL     1      -2.997  -0.586   4.876  1.00  0.00           H  
HETATM   65  H23 UNL     1      -0.925   0.900  -1.192  1.00  0.00           H  
HETATM   66  H24 UNL     1      -0.700  -1.242  -1.907  1.00  0.00           H  
HETATM   67  H25 UNL     1      -3.166   1.238  -2.387  1.00  0.00           H  
HETATM   68  H26 UNL     1      -2.041   0.200  -4.364  1.00  0.00           H  
HETATM   69  H27 UNL     1      -4.178  -0.658  -3.337  1.00  0.00           H  
HETATM   70  H28 UNL     1      -3.245  -2.736  -3.210  1.00  0.00           H  
CONECT    1    2   43   44   45
CONECT    2    3   41   46
CONECT    3    4
CONECT    4    5   37   47
CONECT    5    6
CONECT    6    7   35   48
CONECT    7    8   28   49
CONECT    8    9
CONECT    9   10   10   27
CONECT   10   11   50
CONECT   11   12   13   13
CONECT   12   51
CONECT   13   14   26
CONECT   14   15   15   16
CONECT   16   17   17   52
CONECT   17   18   25
CONECT   18   19   19   24
CONECT   19   20   53
CONECT   20   21   21   54
CONECT   21   22   23
CONECT   22   55
CONECT   23   24   24   56
CONECT   24   57
CONECT   25   26
CONECT   26   27   27
CONECT   27   58
CONECT   28   29
CONECT   29   30   33   59
CONECT   30   31   31   32
CONECT   32   60
CONECT   33   34   35   61
CONECT   34   62
CONECT   35   36   63
CONECT   36   64
CONECT   37   38   39   65
CONECT   38   66
CONECT   39   40   41   67
CONECT   40   68
CONECT   41   42   69
CONECT   42   70
END

HMDB0038847
     RDKit          3D
Apigenin 7-[rhamnosyl-(1->2)-galacturonide]
 70 74  0  0  0  0  0  0  0  0999 V2000
   -5.5704   -1.3178   -1.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0850   -1.0440   -1.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0329    0.0516   -0.3765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7466    0.4602   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4051   -0.0397    1.1816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2504    0.9363    2.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7982    0.8920    2.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4089   -0.4440    2.6375 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5907   -1.0660    1.9354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880   -2.4169    2.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7923   -3.1172    1.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9373   -4.4427    1.6949 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5976   -2.4499    0.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6112   -3.0198   -0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8510   -4.2563   -0.0317 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3504   -2.2628   -1.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1260   -0.9353   -1.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9126   -0.1370   -2.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6498    1.2127   -2.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3836    2.0190   -3.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4020    1.4605   -3.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1529    2.2251   -4.7243 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6822    0.1349   -3.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9350   -0.6574   -2.8528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1444   -0.4014   -0.4846 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4039   -1.0779    0.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999   -0.4064    1.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5819    1.4179    3.8680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4855    2.3742    4.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3446    3.6188    3.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4719    3.6604    2.5991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1283    4.7361    3.6970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9021    1.8657    4.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1717    1.4152    5.6028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1050    0.7056    3.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7268   -0.5030    3.9454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7570    0.1943   -1.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2806   -1.1150   -1.1281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    0.3415   -2.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6022    0.3845   -3.4784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4358   -0.8716   -2.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7092   -2.0330   -2.8059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6829   -2.1952   -2.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1582   -1.3751   -0.5522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9504   -0.4199   -2.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7216   -1.9758   -0.6696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8142    1.5820    0.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4348    1.9336    1.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1656    1.4447    1.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1674   -2.9318    2.8242 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5466   -5.0874    1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1445   -2.7925   -1.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8562    1.6707   -1.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1822    3.0739   -3.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9969    2.6989   -4.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4840   -0.2958   -4.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2218   -1.6859   -2.8144 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2814    0.6465    0.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2115    2.6447    5.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5266    5.2142    2.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5740    2.7213    4.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3744    1.2443    6.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1926    0.6774    3.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9969   -0.5856    4.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    0.8996   -1.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7005   -1.2419   -1.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1656    1.2379   -2.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0409    0.2000   -4.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1779   -0.6578   -3.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2449   -2.7361   -3.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 17 25  1  0
 25 26  1  0
 26 27  2  0
  7 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 29 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
  4 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41  2  1  0
 35  6  1  0
 27  9  1  0
 26 13  1  0
 24 18  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  2 46  1  0
  4 47  1  0
  6 48  1  0
  7 49  1  0
 10 50  1  0
 12 51  1  0
 16 52  1  0
 19 53  1  0
 20 54  1  0
 22 55  1  0
 23 56  1  0
 24 57  1  0
 27 58  1  0
 29 59  1  0
 32 60  1  0
 33 61  1  0
 34 62  1  0
 35 63  1  0
 36 64  1  0
 37 65  1  0
 38 66  1  0
 39 67  1  0
 40 68  1  0
 41 69  1  0
 42 70  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
3,4-Dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylate	Generator

Chemical Formula

C₂₇H₂₈O₁₅

Average Molecular Weight

592.5022

Monoisotopic Molecular Weight

592.142820226

IUPAC Name

3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

Traditional Name

3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

CAS Registry Number

124167-97-1

SMILES

CC1OC(OC2C(O)C(O)C(OC2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)=O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H28O15/c1-9-18(31)19(32)22(35)26(38-9)42-24-21(34)20(33)23(25(36)37)41-27(24)39-12-6-13(29)17-14(30)8-15(40-16(17)7-12)10-2-4-11(28)5-3-10/h2-9,18-24,26-29,31-35H,1H3,(H,36,37)

InChI Key

ONIIEJMYZDRHKM-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glucuronides

Alternative Parents

Substituents

Flavonoid-7-o-glucuronide
Flavonoid-7-o-glycoside
4'-hydroxyflavonoid
5-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Phenolic glycoside
1-o-glucuronide
O-glucuronide
Glucuronic acid or derivatives
Chromone
Disaccharide
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Beta-hydroxy acid
Pyranone
1-hydroxy-4-unsubstituted benzenoid
Phenol
1-hydroxy-2-unsubstituted benzenoid
Pyran
Oxane
Monocyclic benzene moiety
Benzenoid
Hydroxy acid
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Polyol
Acetal
Carboxylic acid
Carboxylic acid derivative
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Oxacycle
Organooxygen compound
Carbonyl group
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cell membrane (HMDB: HMDB0038847)

Cellular substructure

Membrane (HMDB: HMDB0038847)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0038847)

Source

Exogenous

Food

Food (HMDB: HMDB0038847)

Vegetable

Leaf vegetable

Green vegetables (FooDB: FOOD00872)

Endogenous

Plant

Plant (HMDB: HMDB0038847)

Not Available

Nutrient (HMDB: HMDB0038847)

Industrial application

Dye (HMDB: HMDB0038847)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	347.5 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	3.02	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.36 g/L	ALOGPS
logP	0.79	ALOGPS
logP	0.035	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	2.8	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	242.13 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	135.8 m³·mol⁻¹	ChemAxon
Polarizability	57.16 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	218.896	30932474
DeepCCS	[M-H]-	216.822	30932474
DeepCCS	[M-2H]-	250.061	30932474
DeepCCS	[M+Na]+	224.637	30932474
AllCCS	[M+H]+	229.3	32859911
AllCCS	[M+H-H2O]+	228.0	32859911
AllCCS	[M+NH4]+	230.5	32859911
AllCCS	[M+Na]+	230.8	32859911
AllCCS	[M-H]-	224.4	32859911
AllCCS	[M+Na-2H]-	226.4	32859911
AllCCS	[M+HCOO]-	228.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Apigenin 7-[rhamnosyl-(1->2)-galacturonide]	CC1OC(OC2C(O)C(O)C(OC2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)=O)C(O)C(O)C1O	6242.4	Standard polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide]	CC1OC(OC2C(O)C(O)C(OC2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)=O)C(O)C(O)C1O	5069.3	Standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide]	CC1OC(OC2C(O)C(O)C(OC2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)=O)C(O)C(O)C1O	5653.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],1TMS,isomer #1	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5419.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],1TMS,isomer #2	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5415.1	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],1TMS,isomer #3	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O	5394.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],1TMS,isomer #4	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O	5449.3	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],1TMS,isomer #5	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5345.5	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],1TMS,isomer #6	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5412.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],1TMS,isomer #7	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5413.5	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],1TMS,isomer #8	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5429.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #1	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5287.9	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #10	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5331.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #11	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5321.9	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #12	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5314.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #13	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5333.9	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #14	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O	5292.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #15	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5268.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #16	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5276.3	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #17	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5251.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #18	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5292.3	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #19	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5313.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #2	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5345.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #20	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5323.3	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #21	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5309.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #22	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5339.5	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #23	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5291.9	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #24	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5283.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #25	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5310.3	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #26	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5328.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #27	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5328.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #28	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5342.6	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #3	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5328.1	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #4	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5352.3	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #5	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5336.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #6	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5326.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #7	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5342.3	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #8	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5277.5	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TMS,isomer #9	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5329.9	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #1	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5191.1	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #10	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5210.9	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #11	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5248.1	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #12	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5244.1	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #13	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5185.5	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #14	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5157.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #15	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5206.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #16	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5213.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #17	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5193.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #18	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5236.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #19	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5202.3	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #2	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5158.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #20	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5215.6	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #21	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5197.6	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #22	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5171.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #23	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5177.1	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #24	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5126.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #25	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5100.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #26	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5155.9	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #27	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5230.6	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #28	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5219.1	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #29	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5195.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #3	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5165.9	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #30	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5233.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #31	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5212.5	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #32	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5187.1	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #33	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5235.9	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #34	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5187.6	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #35	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5198.3	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #36	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5185.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #37	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5177.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #38	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5172.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #39	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5149.6	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #4	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5139.6	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #40	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5206.3	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #41	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5130.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #42	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5102.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #43	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5162.6	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #44	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5130.3	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #45	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5144.5	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #46	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5137.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #47	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5204.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #48	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5176.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #49	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5225.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #5	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5116.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #50	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5222.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #51	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5237.1	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #52	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5231.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #53	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5170.3	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #54	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5188.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #55	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5183.6	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #56	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5210.6	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #6	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5170.5	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #7	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5211.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #8	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5242.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],3TMS,isomer #9	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5232.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #1	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5084.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #10	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4994.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #11	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4969.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #12	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5032.9	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #13	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4989.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #14	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5009.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #15	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5007.9	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #16	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5121.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #17	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5081.3	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #18	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5050.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #19	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5114.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #2	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5053.5	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #20	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5075.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #21	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5046.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #22	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5101.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #23	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5071.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #24	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5091.5	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #25	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5085.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #26	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5098.1	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #27	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5068.5	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #28	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5120.5	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #29	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5033.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #3	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5039.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #30	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5063.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #31	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5057.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #32	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5030.5	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #33	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5055.9	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #34	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5050.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #35	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5056.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #36	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5095.5	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #37	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5017.9	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #38	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4989.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #39	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5054.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #4	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5012.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #40	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5040.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #41	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5017.6	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #42	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5086.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #43	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4969.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #44	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4988.1	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #45	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4990.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #46	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5101.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #47	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5067.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #48	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5133.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #49	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5053.3	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #5	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5075.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #50	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5072.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #51	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5069.9	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #52	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5064.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #53	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5091.1	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #54	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5087.5	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #55	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5051.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #56	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5043.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #57	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5003.1	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #58	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5082.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #59	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5031.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #6	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5075.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #60	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5046.1	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #61	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5044.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #62	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4987.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #63	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5015.9	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #64	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5016.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #65	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5011.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #66	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5060.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #67	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5086.3	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #68	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5084.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #69	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5088.5	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #7	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5014.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #70	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5053.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #8	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4999.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],4TMS,isomer #9	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5066.1	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],1TBDMS,isomer #1	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5663.9	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],1TBDMS,isomer #2	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5661.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],1TBDMS,isomer #3	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O	5598.6	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],1TBDMS,isomer #4	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C(C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O	5652.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],1TBDMS,isomer #5	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5603.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],1TBDMS,isomer #6	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5659.6	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],1TBDMS,isomer #7	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5665.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],1TBDMS,isomer #8	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5685.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #1	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5704.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #10	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5732.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #11	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5700.3	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #12	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5707.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #13	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5744.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #14	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C(C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O	5708.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #15	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5663.3	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #16	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5654.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #17	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5659.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #18	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5701.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #19	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C(C)(C)C)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5721.3	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #2	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C(C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5765.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #20	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C(C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5706.6	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #21	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C(C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5718.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #22	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C(C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5753.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #23	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5664.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #24	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5673.8	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #25	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5706.7	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #26	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5698.5	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #27	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5714.9	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #28	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5724.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #3	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5724.2	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #4	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5751.0	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #5	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5715.1	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #6	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5725.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #7	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5761.4	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #8	CC1OC(OC2C(OC3=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5682.6	Semi standard non polar	33892256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide],2TBDMS,isomer #9	CC1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C(C)(C)C)C=C5)OC4=C3)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5742.1	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (Non-derivatized) - 70eV, Positive	splash10-00fr-9341360000-acaebde80023ce83bb3c	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (1 TMS) - 70eV, Positive	splash10-0002-9422214000-452aded883d9db169b6f	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS ("Apigenin 7-[rhamnosyl-(1->2)-galacturonide],1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] 10V, Positive-QTOF	splash10-00b9-0280960000-5721190e2f53e6efb645	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] 20V, Positive-QTOF	splash10-00di-0190300000-0a1f1fc88c176c268767	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] 40V, Positive-QTOF	splash10-00di-1290100000-f11f3355e399365a0a4d	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] 10V, Negative-QTOF	splash10-014m-2462690000-18dee7638cfd88828e21	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] 20V, Negative-QTOF	splash10-014i-2592420000-a31ff0941870fbb0b40a	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] 40V, Negative-QTOF	splash10-014i-8591100000-4195513d27824d9abc18	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] 10V, Positive-QTOF	splash10-00dl-0090040000-14098a2076dd1e5fd653	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] 20V, Positive-QTOF	splash10-00di-0090000000-60b322ff74af8a765580	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] 40V, Positive-QTOF	splash10-00di-0090000000-60b322ff74af8a765580	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] 10V, Negative-QTOF	splash10-014l-0090060000-296a0463959644bcee00	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] 20V, Negative-QTOF	splash10-014i-0090000000-0f9cf513153f5787dba6	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apigenin 7-[rhamnosyl-(1->2)-galacturonide] 40V, Negative-QTOF	splash10-014i-0090000000-74726919fa50baee1637	2021-09-22	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB018282

KNApSAcK ID

C00004160

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14309754

PDB ID

Not Available

ChEBI ID

143040

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Balasubramanian S, Zhu L, Eckert RL: Apigenin inhibition of involucrin gene expression is associated with a specific reduction in phosphorylation of protein kinase Cdelta Tyr311. J Biol Chem. 2006 Nov 24;281(47):36162-72. Epub 2006 Sep 18. [PubMed:16982614 ]
Vargo MA, Voss OH, Poustka F, Cardounel AJ, Grotewold E, Doseff AI: Apigenin-induced-apoptosis is mediated by the activation of PKCdelta and caspases in leukemia cells. Biochem Pharmacol. 2006 Sep 14;72(6):681-92. Epub 2006 Jul 17. [PubMed:16844095 ]
Horinaka M, Yoshida T, Shiraishi T, Nakata S, Wakada M, Sakai T: The dietary flavonoid apigenin sensitizes malignant tumor cells to tumor necrosis factor-related apoptosis-inducing ligand. Mol Cancer Ther. 2006 Apr;5(4):945-51. [PubMed:16648565 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Apigenin 7-[rhamnosyl-(1->2)-galacturonide] (HMDB0038847)

MOL for HMDB0038847 (Apigenin 7-[rhamnosyl-(1->2)-galacturonide])

3D MOL for HMDB0038847 (Apigenin 7-[rhamnosyl-(1->2)-galacturonide])

3D SDF for HMDB0038847 (Apigenin 7-[rhamnosyl-(1->2)-galacturonide])

3D-SDF for HMDB0038847 (Apigenin 7-[rhamnosyl-(1->2)-galacturonide])

PDB for HMDB0038847 (Apigenin 7-[rhamnosyl-(1->2)-galacturonide])

3D PDB for HMDB0038847 (Apigenin 7-[rhamnosyl-(1->2)-galacturonide])

SMILES for HMDB0038847 (Apigenin 7-[rhamnosyl-(1->2)-galacturonide])

INCHI for HMDB0038847 (Apigenin 7-[rhamnosyl-(1->2)-galacturonide])

Structure for HMDB0038847 (Apigenin 7-[rhamnosyl-(1->2)-galacturonide])

3D Structure for HMDB0038847 (Apigenin 7-[rhamnosyl-(1->2)-galacturonide])

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra