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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:29:10 UTC

Update Date

2022-03-07 02:52:05 UTC

HMDB ID

HMDB0029248

Secondary Accession Numbers

HMDB29248

Metabolite Identification

Common Name

Luteolinidin 3-O-glucoside

Description

Luteolinidin 3-O-glucoside belongs to the class of organic compounds known as anthocyanidin-5-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Based on a literature review a small amount of articles have been published on Luteolinidin 3-O-glucoside.

Structure

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

  Mrv0541 02241220442D          

 31 34  0  0  0  0            999 V2000
   -2.3868   -0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3868   -0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6723   -1.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1013   -1.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6723    0.3719    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -3.1013    0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9579   -0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8158   -0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9579   -0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8158   -0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2434    0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5302    0.3719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4711   -0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2434    1.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1855    0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4711    1.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1855    1.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.0406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    1.6094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1013   -2.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5302   -2.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2447   -2.5156    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2447   -3.3406    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5302   -3.7531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8158   -3.3406    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8158   -2.5156    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1013   -3.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5302   -4.5781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9592   -3.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9592   -2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6736   -2.5156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 16 17  1  0  0  0  0
  4 20  1  0  0  0  0
 26 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 25 27  1  6  0  0  0
 24 28  1  1  0  0  0
 23 29  1  6  0  0  0
 22 30  1  1  0  0  0
 30 31  1  0  0  0  0
M  CHG  1   5   1
M  END

HMDB0029248
     RDKit          3D
Luteolinidin 3-O-glucoside
 52 55  0  0  0  0  0  0  0  0999 V2000
   -6.8209    1.8687    1.3680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4236    1.9043    1.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8273    0.9028    0.5854 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4396    0.8648    0.6791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8745    0.1815   -0.3882 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5067    0.0743   -0.1578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4654    0.5382   -0.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.2350   -2.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672    1.6960   -2.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    2.4027   -3.9984 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7488    1.4607   -2.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9306    0.7629   -1.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1428    0.5264   -0.7428 O   0  0  0  0  0  3  0  0  0  0  0  0
    3.4153   -0.1284    0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8026   -0.3306    0.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1372   -1.0068    1.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4865   -1.1805    2.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4999   -0.6943    1.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8073   -0.9067    1.8735 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1686   -0.0167    0.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1819    0.4850   -0.4813 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8452    0.1502   -0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3560   -0.5945    1.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0533   -0.3703    0.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    0.3155   -0.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4198   -1.2203   -0.5309 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1370   -1.6921   -1.8285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8847   -1.3365   -0.3212 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1652   -2.6906   -0.0357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3188   -0.5020    0.8516 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.6758   -0.5741    1.0561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0443    1.7788    0.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1182    2.9286    1.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2274    1.6602    2.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0890    1.1617   -0.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1476    0.7278   -1.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6150    1.4324   -2.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2255    1.8058   -4.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6172    1.8191   -2.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3910   -1.4201    2.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7464   -1.7168    3.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6278   -0.5967    1.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1559    0.4077   -0.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5682    0.6842   -0.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4859   -1.1403    2.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1975   -0.7220    1.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8977   -1.8631    0.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0870   -2.6762   -1.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4555   -1.0353   -1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2677   -3.2090   -0.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7683   -0.8633    1.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8484   -0.3809    2.0257 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  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 14 23  2  0
 23 24  1  0
 24 25  2  0
  5 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  3  1  0
 25  7  1  0
 25 12  1  0
 22 15  1  0
  1 32  1  0
  2 33  1  0
  2 34  1  0
  3 35  1  6
  5 36  1  6
  8 37  1  0
 10 38  1  0
 11 39  1  0
 16 40  1  0
 17 41  1  0
 19 42  1  0
 21 43  1  0
 22 44  1  0
 23 45  1  0
 24 46  1  0
 26 47  1  1
 27 48  1  0
 28 49  1  6
 29 50  1  0
 30 51  1  1
 31 52  1  0
M  CHG  1  13   1
M  END

  Mrv0541 02241220442D          

 31 34  0  0  0  0            999 V2000
   -2.3868   -0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3868   -0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6723   -1.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1013   -1.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6723    0.3719    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -3.1013    0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9579   -0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8158   -0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9579   -0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8158   -0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2434    0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5302    0.3719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4711   -0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2434    1.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1855    0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4711    1.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1855    1.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.0406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    1.6094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1013   -2.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5302   -2.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2447   -2.5156    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2447   -3.3406    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5302   -3.7531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8158   -3.3406    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8158   -2.5156    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1013   -3.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5302   -4.5781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9592   -3.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9592   -2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6736   -2.5156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 16 17  1  0  0  0  0
  4 20  1  0  0  0  0
 26 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 25 27  1  6  0  0  0
 24 28  1  1  0  0  0
 23 29  1  6  0  0  0
 22 30  1  1  0  0  0
 30 31  1  0  0  0  0
M  CHG  1   5   1
M  END
> <DATABASE_ID>
HMDB0029248

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=CC=C23)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H20O10/c22-8-17-18(26)19(27)20(28)21(31-17)30-16-7-10(23)6-15-11(16)2-4-14(29-15)9-1-3-12(24)13(25)5-9/h1-7,17-22,26-28H,8H2,(H2-,23,24,25)/p+1/t17-,18-,19+,20-,21-/m1/s1

> <INCHI_KEY>
RXQNESSHTIRLBK-YMQHIKHWSA-O

> <FORMULA>
C21H21O10

> <MOLECULAR_WEIGHT>
433.3854

> <EXACT_MASS>
433.113471892

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
42.79730206962095

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

> <ALOGPS_LOGP>
1.29

> <JCHEM_LOGP>
0.6713999999999993

> <ALOGPS_LOGS>
-3.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.141740835091433

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.830158159903804

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810923463387162

> <JCHEM_POLAR_SURFACE_AREA>
173.21

> <JCHEM_REFRACTIVITY>
114.27659999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.43e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029248
     RDKit          3D
Luteolinidin 3-O-glucoside
 52 55  0  0  0  0  0  0  0  0999 V2000
   -6.8209    1.8687    1.3680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4236    1.9043    1.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8273    0.9028    0.5854 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4396    0.8648    0.6791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8745    0.1815   -0.3882 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5067    0.0743   -0.1578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4654    0.5382   -0.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.2350   -2.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672    1.6960   -2.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    2.4027   -3.9984 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7488    1.4607   -2.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9306    0.7629   -1.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1428    0.5264   -0.7428 O   0  0  0  0  0  3  0  0  0  0  0  0
    3.4153   -0.1284    0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8026   -0.3306    0.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1372   -1.0068    1.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4865   -1.1805    2.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4999   -0.6943    1.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8073   -0.9067    1.8735 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1686   -0.0167    0.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1819    0.4850   -0.4813 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8452    0.1502   -0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3560   -0.5945    1.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0533   -0.3703    0.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    0.3155   -0.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4198   -1.2203   -0.5309 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1370   -1.6921   -1.8285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8847   -1.3365   -0.3212 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1652   -2.6906   -0.0357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3188   -0.5020    0.8516 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.6758   -0.5741    1.0561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0443    1.7788    0.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1182    2.9286    1.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2274    1.6602    2.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0890    1.1617   -0.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1476    0.7278   -1.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6150    1.4324   -2.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2255    1.8058   -4.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6172    1.8191   -2.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3910   -1.4201    2.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7464   -1.7168    3.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6278   -0.5967    1.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1559    0.4077   -0.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5682    0.6842   -0.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4859   -1.1403    2.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1975   -0.7220    1.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8977   -1.8631    0.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0870   -2.6762   -1.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4555   -1.0353   -1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2677   -3.2090   -0.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7683   -0.8633    1.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8484   -0.3809    2.0257 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  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 14 23  2  0
 23 24  1  0
 24 25  2  0
  5 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  3  1  0
 25  7  1  0
 25 12  1  0
 22 15  1  0
  1 32  1  0
  2 33  1  0
  2 34  1  0
  3 35  1  6
  5 36  1  6
  8 37  1  0
 10 38  1  0
 11 39  1  0
 16 40  1  0
 17 41  1  0
 19 42  1  0
 21 43  1  0
 22 44  1  0
 23 45  1  0
 24 46  1  0
 26 47  1  1
 27 48  1  0
 28 49  1  6
 29 50  1  0
 30 51  1  1
 31 52  1  0
M  CHG  1  13   1
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -4.455  -1.616   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.455  -0.076   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.122  -2.386   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.789  -2.386   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -3.122   0.694   0.000  0.00  0.00           O+1
HETATM    6  C   UNK     0      -5.789   0.694   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.788  -1.616   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -7.123  -1.616   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.788  -0.076   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -7.123  -0.076   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.454   0.694   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -8.456   0.694   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       0.879  -0.076   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.454   2.234   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.213   0.694   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.879   3.004   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.213   2.234   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       3.547  -0.076   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       3.547   3.004   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -5.789  -3.926   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -8.456  -3.926   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -9.790  -4.696   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -9.790  -6.236   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -8.456  -7.006   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -7.123  -6.236   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -7.123  -4.696   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -5.789  -7.006   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -8.456  -8.546   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0     -11.124  -7.006   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0     -11.124  -3.926   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0     -12.457  -4.696   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7                                                       
CONECT    4    1    8   20                                                  
CONECT    5    2    9                                                       
CONECT    6    2   10                                                       
CONECT    7    3    9                                                       
CONECT    8    4   10                                                       
CONECT    9    5   11    7                                                  
CONECT   10    6   12    8                                                  
CONECT   11    9   13   14                                                  
CONECT   12   10                                                            
CONECT   13   11   15                                                       
CONECT   14   11   16                                                       
CONECT   15   13   17   18                                                  
CONECT   16   14   17                                                       
CONECT   17   15   19   16                                                  
CONECT   18   15                                                            
CONECT   19   17                                                            
CONECT   20    4   26                                                       
CONECT   21   22   26                                                       
CONECT   22   21   23   30                                                  
CONECT   23   22   24   29                                                  
CONECT   24   23   25   28                                                  
CONECT   25   24   26   27                                                  
CONECT   26   20   25   21                                                  
CONECT   27   25                                                            
CONECT   28   24                                                            
CONECT   29   23                                                            
CONECT   30   22   31                                                       
CONECT   31   30                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   68    0
END

COMPND    HMDB0029248
HETATM    1  O1  UNL     1      -6.821   1.869   1.368  1.00  0.00           O  
HETATM    2  C1  UNL     1      -5.424   1.904   1.536  1.00  0.00           C  
HETATM    3  C2  UNL     1      -4.827   0.903   0.585  1.00  0.00           C  
HETATM    4  O2  UNL     1      -3.440   0.865   0.679  1.00  0.00           O  
HETATM    5  C3  UNL     1      -2.874   0.182  -0.388  1.00  0.00           C  
HETATM    6  O3  UNL     1      -1.507   0.074  -0.158  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.465   0.538  -0.897  1.00  0.00           C  
HETATM    8  C5  UNL     1      -0.628   1.235  -2.073  1.00  0.00           C  
HETATM    9  C6  UNL     1       0.467   1.696  -2.805  1.00  0.00           C  
HETATM   10  O4  UNL     1       0.267   2.403  -3.998  1.00  0.00           O  
HETATM   11  C7  UNL     1       1.749   1.461  -2.363  1.00  0.00           C  
HETATM   12  C8  UNL     1       1.931   0.763  -1.185  1.00  0.00           C  
HETATM   13  O5  UNL     1       3.143   0.526  -0.743  1.00  0.00           O1+
HETATM   14  C9  UNL     1       3.415  -0.128   0.366  1.00  0.00           C  
HETATM   15  C10 UNL     1       4.803  -0.331   0.757  1.00  0.00           C  
HETATM   16  C11 UNL     1       5.137  -1.007   1.902  1.00  0.00           C  
HETATM   17  C12 UNL     1       6.487  -1.181   2.244  1.00  0.00           C  
HETATM   18  C13 UNL     1       7.500  -0.694   1.468  1.00  0.00           C  
HETATM   19  O6  UNL     1       8.807  -0.907   1.873  1.00  0.00           O  
HETATM   20  C14 UNL     1       7.169  -0.017   0.321  1.00  0.00           C  
HETATM   21  O7  UNL     1       8.182   0.485  -0.481  1.00  0.00           O  
HETATM   22  C15 UNL     1       5.845   0.150  -0.009  1.00  0.00           C  
HETATM   23  C16 UNL     1       2.356  -0.594   1.109  1.00  0.00           C  
HETATM   24  C17 UNL     1       1.053  -0.370   0.684  1.00  0.00           C  
HETATM   25  C18 UNL     1       0.828   0.316  -0.475  1.00  0.00           C  
HETATM   26  C19 UNL     1      -3.420  -1.220  -0.531  1.00  0.00           C  
HETATM   27  O8  UNL     1      -3.137  -1.692  -1.828  1.00  0.00           O  
HETATM   28  C20 UNL     1      -4.885  -1.336  -0.321  1.00  0.00           C  
HETATM   29  O9  UNL     1      -5.165  -2.691  -0.036  1.00  0.00           O  
HETATM   30  C21 UNL     1      -5.319  -0.502   0.852  1.00  0.00           C  
HETATM   31  O10 UNL     1      -6.676  -0.574   1.056  1.00  0.00           O  
HETATM   32  H1  UNL     1      -7.044   1.779   0.405  1.00  0.00           H  
HETATM   33  H2  UNL     1      -5.118   2.929   1.244  1.00  0.00           H  
HETATM   34  H3  UNL     1      -5.227   1.660   2.590  1.00  0.00           H  
HETATM   35  H4  UNL     1      -5.089   1.162  -0.453  1.00  0.00           H  
HETATM   36  H5  UNL     1      -3.148   0.728  -1.311  1.00  0.00           H  
HETATM   37  H6  UNL     1      -1.615   1.432  -2.441  1.00  0.00           H  
HETATM   38  H7  UNL     1       0.226   1.806  -4.838  1.00  0.00           H  
HETATM   39  H8  UNL     1       2.617   1.819  -2.931  1.00  0.00           H  
HETATM   40  H9  UNL     1       4.391  -1.420   2.566  1.00  0.00           H  
HETATM   41  H10 UNL     1       6.746  -1.717   3.152  1.00  0.00           H  
HETATM   42  H11 UNL     1       9.628  -0.597   1.385  1.00  0.00           H  
HETATM   43  H12 UNL     1       9.156   0.408  -0.315  1.00  0.00           H  
HETATM   44  H13 UNL     1       5.568   0.684  -0.914  1.00  0.00           H  
HETATM   45  H14 UNL     1       2.486  -1.140   2.030  1.00  0.00           H  
HETATM   46  H15 UNL     1       0.197  -0.722   1.242  1.00  0.00           H  
HETATM   47  H16 UNL     1      -2.898  -1.863   0.208  1.00  0.00           H  
HETATM   48  H17 UNL     1      -3.087  -2.676  -1.810  1.00  0.00           H  
HETATM   49  H18 UNL     1      -5.455  -1.035  -1.237  1.00  0.00           H  
HETATM   50  H19 UNL     1      -5.268  -3.209  -0.855  1.00  0.00           H  
HETATM   51  H20 UNL     1      -4.768  -0.863   1.748  1.00  0.00           H  
HETATM   52  H21 UNL     1      -6.848  -0.381   2.026  1.00  0.00           H  
CONECT    1    2   32
CONECT    2    3   33   34
CONECT    3    4   30   35
CONECT    4    5
CONECT    5    6   26   36
CONECT    6    7
CONECT    7    8    8   25
CONECT    8    9   37
CONECT    9   10   11   11
CONECT   10   38
CONECT   11   12   39
CONECT   12   13   13   25
CONECT   13   14
CONECT   14   15   23   23
CONECT   15   16   16   22
CONECT   16   17   40
CONECT   17   18   18   41
CONECT   18   19   20
CONECT   19   42
CONECT   20   21   22   22
CONECT   21   43
CONECT   22   44
CONECT   23   24   45
CONECT   24   25   25   46
CONECT   26   27   28   47
CONECT   27   48
CONECT   28   29   30   49
CONECT   29   50
CONECT   30   31   51
CONECT   31   52
END

HMDB0029248
     RDKit          3D
Luteolinidin 3-O-glucoside
 52 55  0  0  0  0  0  0  0  0999 V2000
   -6.8209    1.8687    1.3680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4236    1.9043    1.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8273    0.9028    0.5854 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4396    0.8648    0.6791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8745    0.1815   -0.3882 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5067    0.0743   -0.1578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4654    0.5382   -0.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.2350   -2.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672    1.6960   -2.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    2.4027   -3.9984 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7488    1.4607   -2.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9306    0.7629   -1.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1428    0.5264   -0.7428 O   0  0  0  0  0  3  0  0  0  0  0  0
    3.4153   -0.1284    0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8026   -0.3306    0.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1372   -1.0068    1.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4865   -1.1805    2.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4999   -0.6943    1.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8073   -0.9067    1.8735 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1686   -0.0167    0.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1819    0.4850   -0.4813 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8452    0.1502   -0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3560   -0.5945    1.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0533   -0.3703    0.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    0.3155   -0.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4198   -1.2203   -0.5309 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1370   -1.6921   -1.8285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8847   -1.3365   -0.3212 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1652   -2.6906   -0.0357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3188   -0.5020    0.8516 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.6758   -0.5741    1.0561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0443    1.7788    0.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1182    2.9286    1.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2274    1.6602    2.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0890    1.1617   -0.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1476    0.7278   -1.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6150    1.4324   -2.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2255    1.8058   -4.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6172    1.8191   -2.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3910   -1.4201    2.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7464   -1.7168    3.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6278   -0.5967    1.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1559    0.4077   -0.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5682    0.6842   -0.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4859   -1.1403    2.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1975   -0.7220    1.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8977   -1.8631    0.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0870   -2.6762   -1.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4555   -1.0353   -1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2677   -3.2090   -0.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7683   -0.8633    1.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8484   -0.3809    2.0257 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  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 14 23  2  0
 23 24  1  0
 24 25  2  0
  5 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  3  1  0
 25  7  1  0
 25 12  1  0
 22 15  1  0
  1 32  1  0
  2 33  1  0
  2 34  1  0
  3 35  1  6
  5 36  1  6
  8 37  1  0
 10 38  1  0
 11 39  1  0
 16 40  1  0
 17 41  1  0
 19 42  1  0
 21 43  1  0
 22 44  1  0
 23 45  1  0
 24 46  1  0
 26 47  1  1
 27 48  1  0
 28 49  1  6
 29 50  1  0
 30 51  1  1
 31 52  1  0
M  CHG  1  13   1
M  END

View in JSmol View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₁H₂₁O₁₀

Average Molecular Weight

433.3854

Monoisotopic Molecular Weight

433.113471892

IUPAC Name

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

Traditional Name

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=CC=C23)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C21H20O10/c22-8-17-18(26)19(27)20(28)21(31-17)30-16-7-10(23)6-15-11(16)2-4-14(29-15)9-1-3-12(24)13(25)5-9/h1-7,17-22,26-28H,8H2,(H2-,23,24,25)/p+1/t17-,18-,19+,20-,21-/m1/s1

InChI Key

RXQNESSHTIRLBK-YMQHIKHWSA-O

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anthocyanidin-5-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Anthocyanidin-5-O-glycosides

Alternative Parents

Substituents

Anthocyanidin-5-o-glycoside
3'-hydroxyflavonoid
4'-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
Anthocyanidin
Phenolic glycoside
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Monosaccharide
Oxane
Heteroaromatic compound
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Polyol
Acetal
Primary alcohol
Hydrocarbon derivative
Organic oxygen compound
Alcohol
Organooxygen compound
Organic cation
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0029248)
Cytoplasm (HMDB: HMDB0029248)

Source

Endogenous

Endogenous (HMDB: HMDB0029248)

Plant

Plant (HMDB: HMDB0029248)

Exogenous

Food

Food (HMDB: HMDB0029248)

Exogenous (HMDB: HMDB0029248)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.44 g/L	ALOGPS
logP	1.29	ALOGPS
logP	0.67	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	6.83	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	173.21 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	114.28 m³·mol⁻¹	ChemAxon
Polarizability	42.8 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	197.512	31661259
DarkChem	[M-H]-	193.481	31661259
DeepCCS	[M-2H]-	221.754	30932474
DeepCCS	[M+Na]+	196.675	30932474
AllCCS	[M+H]+	200.8	32859911
AllCCS	[M+H-H2O]+	198.3	32859911
AllCCS	[M+NH4]+	203.1	32859911
AllCCS	[M+Na]+	203.7	32859911
AllCCS	[M-H]-	198.2	32859911
AllCCS	[M+Na-2H]-	198.5	32859911
AllCCS	[M+HCOO]-	199.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Luteolinidin 3-O-glucoside	OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=CC=C23)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5829.6	Standard polar	33892256
Luteolinidin 3-O-glucoside	OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=CC=C23)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	4294.7	Standard non polar	33892256
Luteolinidin 3-O-glucoside	OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=CC=C23)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	4347.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Luteolinidin 3-O-glucoside,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O	4147.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=CC(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4229.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=CC3=[O+]2)=CC=C1O	4150.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=CC3=[O+]2)C=C1O	4179.0	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,1TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)O[C@H](CO)[C@@H](O)[C@@H]1O	4189.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,1TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)O[C@H](CO)[C@H]1O	4171.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,1TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@H]1O	4153.0	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O	4015.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #10	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=CC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	4077.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=CC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	4064.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O)=CC3=[O+]2)=CC=C1O	3994.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #13	C[Si](C)(C)OC1=CC(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O)=CC3=[O+]2)=CC=C1O	3990.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=CC3=[O+]2)=CC=C1O	4015.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=CC3=[O+]2)C=C1O[Si](C)(C)C	4043.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O)=CC3=[O+]2)C=C1O	3999.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O)=CC3=[O+]2)C=C1O	4000.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=CC3=[O+]2)C=C1O	4029.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)O[C@@H]1CO	4017.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O	4020.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)O[C@H](CO)[C@H]1O	4041.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@H]1O[Si](C)(C)C	4007.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O	3999.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4042.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4022.8	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4029.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #7	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C2C=CC(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4013.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #8	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C2C=CC(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4017.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TMS,isomer #9	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C2C=CC(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4038.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O	3926.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3870.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3839.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3873.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3947.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3975.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3944.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #16	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C2C=CC(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	3912.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #17	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C2C=CC(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	3918.0	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #18	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C2C=CC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3933.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #19	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C2C=CC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3930.0	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O	3908.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #20	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C2C=CC(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	3934.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #21	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C2C=CC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3934.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #22	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C2C=CC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3930.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #23	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C2C=CC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3941.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #24	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C2C=CC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3936.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #25	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=CC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3968.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #26	C[Si](C)(C)OC1=CC(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O)=CC3=[O+]2)=CC=C1O	3852.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #27	C[Si](C)(C)OC1=CC(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=CC3=[O+]2)=CC=C1O	3860.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O)=CC3=[O+]2)C=C1O[Si](C)(C)C	3901.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #29	C[Si](C)(C)OC1=CC(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC(O)=CC3=[O+]2)=CC=C1O	3878.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3929.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #30	C[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O)=CC3=[O+]2)C=C1O[Si](C)(C)C	3887.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=CC3=[O+]2)C=C1O[Si](C)(C)C	3915.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O)=CC3=[O+]2)C=C1O	3862.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=CC3=[O+]2)C=C1O	3875.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC(O)=CC3=[O+]2)C=C1O	3890.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #35	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)O[C@H](CO)[C@H]1O[Si](C)(C)C	3957.8	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3899.0	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3928.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O	3893.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3888.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3862.8	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3892.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O	3886.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3865.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3833.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3804.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3841.8	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3796.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3825.0	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3807.0	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3780.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3805.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3790.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3865.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3947.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #21	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C2C=CC(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	3877.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #22	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C2C=CC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3874.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #23	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C2C=CC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3864.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #24	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C2C=CC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3879.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #25	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C2C=CC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3864.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #26	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C2C=CC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3908.8	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #27	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C2C=CC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3879.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #28	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C2C=CC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3869.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #29	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C2C=CC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3907.0	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3857.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #30	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C2C=CC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3909.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #31	C[Si](C)(C)OC1=CC(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC(O)=CC3=[O+]2)=CC=C1O	3817.0	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O)=CC3=[O+]2)C=C1O[Si](C)(C)C	3831.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=CC3=[O+]2)C=C1O[Si](C)(C)C	3832.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC(O)=CC3=[O+]2)C=C1O[Si](C)(C)C	3840.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #35	C[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC(O)=CC3=[O+]2)C=C1O	3829.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3870.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3847.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3838.8	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3851.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3860.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3880.8	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3867.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3870.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3820.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3831.8	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3829.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3833.8	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3819.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #16	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C2C=CC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3869.8	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #17	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C2C=CC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3862.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #18	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C2C=CC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3885.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #19	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C2C=CC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3879.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3856.0	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #20	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C2C=CC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3885.8	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC(O)=CC3=[O+]2)C=C1O[Si](C)(C)C	3851.0	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3877.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3843.0	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3858.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3860.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3832.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3846.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,5TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3848.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3858.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,6TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3869.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,6TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3876.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,6TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3872.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,6TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3865.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,6TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3875.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,6TMS,isomer #7	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C2C=CC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3891.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O	4435.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=CC(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4481.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=CC3=[O+]2)=CC=C1O	4414.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=CC3=[O+]2)C=C1O	4456.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)O[C@H](CO)[C@@H](O)[C@@H]1O	4456.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)O[C@H](CO)[C@H]1O	4439.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@H]1O	4421.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O	4544.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=CC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4625.8	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=CC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4589.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=CC(O)=CC3=[O+]2)=CC=C1O	4503.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=CC(O)=CC3=[O+]2)=CC=C1O	4507.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=CC3=[O+]2)=CC=C1O	4514.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=CC3=[O+]2)C=C1O[Si](C)(C)C(C)(C)C	4533.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=CC(O)=CC3=[O+]2)C=C1O	4536.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=CC(O)=CC3=[O+]2)C=C1O	4541.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=CC3=[O+]2)C=C1O	4548.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)O[C@@H]1CO	4545.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O	4532.0	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)O[C@H](CO)[C@H]1O	4548.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4525.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O	4492.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4532.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4515.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4520.8	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=C2C=CC(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4547.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C2C=CC(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4553.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C2C=CC(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4558.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O	4755.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4590.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4575.8	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4590.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4595.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4639.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4596.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C2C=CC(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4642.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C2C=CC(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4654.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=C2C=CC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4773.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=C2C=CC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4730.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O	4713.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C2C=CC(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4664.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C2C=CC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4790.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C2C=CC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4746.0	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C2C=CC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4778.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C2C=CC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4736.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=CC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4759.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=CC(O)=CC3=[O+]2)=CC=C1O	4589.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=CC3=[O+]2)=CC=C1O	4603.0	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=CC(O)=CC3=[O+]2)C=C1O[Si](C)(C)C(C)(C)C	4650.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=CC3=[O+]2)=CC=C1O	4615.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4643.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=CC(O)=CC3=[O+]2)C=C1O[Si](C)(C)C(C)(C)C	4651.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=CC3=[O+]2)C=C1O[Si](C)(C)C(C)(C)C	4648.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=CC(O)=CC3=[O+]2)C=C1O	4627.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=CC3=[O+]2)C=C1O	4642.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=CC3=[O+]2)C=C1O	4652.0	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C	4616.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4633.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4642.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O	4627.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4636.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4622.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4637.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O	4847.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4719.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4726.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4707.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4717.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4728.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4763.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4738.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4683.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4713.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4692.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4875.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4728.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C2C=CC(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4721.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C2C=CC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4860.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C2C=CC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4820.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C2C=CC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4867.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C2C=CC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4827.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=C2C=CC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4866.6	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C2C=CC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4880.0	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C2C=CC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4837.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C2C=CC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4866.4	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4857.9	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C2C=CC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4872.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=CC3=[O+]2)=CC=C1O	4699.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=CC(O)=CC3=[O+]2)C=C1O[Si](C)(C)C(C)(C)C	4708.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=CC3=[O+]2)C=C1O[Si](C)(C)C(C)(C)C	4719.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=CC3=[O+]2)C=C1O[Si](C)(C)C(C)(C)C	4730.7	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC=C3C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=CC3=[O+]2)C=C1O	4737.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4870.5	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4831.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4813.2	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4825.3	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4715.1	Semi standard non polar	33892256
Luteolinidin 3-O-glucoside,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4742.3	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 - Luteolinidin 3-O-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0fk9-9623500000-e160984c9e0121a05231	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolinidin 3-O-glucoside GC-MS (3 TMS) - 70eV, Positive	splash10-001i-3520029000-c6e3526e9399e950a865	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolinidin 3-O-glucoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	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 - Luteolinidin 3-O-glucoside 10V, Positive-QTOF	splash10-001i-0100900000-1a37c1bfb429f2afad1e	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolinidin 3-O-glucoside 20V, Positive-QTOF	splash10-01q9-1400900000-d9a48ed162f202a92eed	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolinidin 3-O-glucoside 40V, Positive-QTOF	splash10-0002-9720000000-d4508f3cbae0bd32bc6d	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolinidin 3-O-glucoside 10V, Negative-QTOF	splash10-001i-1200900000-3e317cfbb3d4496cfa18	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolinidin 3-O-glucoside 20V, Negative-QTOF	splash10-001i-6700900000-c178b2beba394e10f6d3	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolinidin 3-O-glucoside 40V, Negative-QTOF	splash10-0596-9100000000-54575f143aff4b5aaed1	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolinidin 3-O-glucoside 10V, Positive-QTOF	splash10-00yi-0182900000-80800f3eef19d52356d5	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolinidin 3-O-glucoside 20V, Positive-QTOF	splash10-00di-0091000000-7f035318031ee963dc46	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolinidin 3-O-glucoside 40V, Positive-QTOF	splash10-05fs-6391000000-47956e79990f475a7284	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

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

FooDB ID

FDB000074

KNApSAcK ID

Not Available

Chemspider ID

10236767

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21604000

PDB ID

Not Available

ChEBI ID

176107

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

Neveu V, Perez-Jimenez J, Vos F, Crespy V, du Chaffaut L, Mennen L, Knox C, Eisner R, Cruz J, Wishart D, Scalbert A: Phenol-Explorer: an online comprehensive database on polyphenol contents in foods. Database (Oxford). 2010;2010:bap024. doi: 10.1093/database/bap024. Epub 2010 Jan 8. [PubMed:20428313 ]

Showing metabocard for Luteolinidin 3-O-glucoside (HMDB0029248)

MOL for HMDB0029248 (Luteolinidin 3-O-glucoside)

3D MOL for HMDB0029248 (Luteolinidin 3-O-glucoside)

3D SDF for HMDB0029248 (Luteolinidin 3-O-glucoside)

3D-SDF for HMDB0029248 (Luteolinidin 3-O-glucoside)

PDB for HMDB0029248 (Luteolinidin 3-O-glucoside)

3D PDB for HMDB0029248 (Luteolinidin 3-O-glucoside)

SMILES for HMDB0029248 (Luteolinidin 3-O-glucoside)

INCHI for HMDB0029248 (Luteolinidin 3-O-glucoside)

Structure for HMDB0029248 (Luteolinidin 3-O-glucoside)

3D Structure for HMDB0029248 (Luteolinidin 3-O-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra