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Showing metabocard for Cyanidin 3-rhamnoside (HMDB0037975)

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enzymes (1) Show 1 protein
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:14:46 UTC
Update Date2022-03-07 02:55:35 UTC
HMDB IDHMDB0037975
Secondary Accession Numbers
  • HMDB37975
Metabolite Identification
Common NameCyanidin 3-rhamnoside
DescriptionCyanidin 3-rhamnoside belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Cyanidin 3-rhamnoside is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, cyanidin 3-rhamnoside has been detected, but not quantified in, blackcurrants and common pea. This could make cyanidin 3-rhamnoside a potential biomarker for the consumption of these foods.
Structure
Data?1563863118
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0037975 (Cyanidin 3-rhamnoside)


  Mrv0541 05061310082D          

 31 34  0  0  0  0            999 V2000
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    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
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    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
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12  3  1  0  0  0  0
 13  5  2  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 14 12  2  0  0  0  0
 15  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20  9  1  0  0  0  0
 20 16  2  0  0  0  0
 21 19  1  0  0  0  0
 22 10  1  0  0  0  0
 23 12  1  0  0  0  0
 24 13  1  0  0  0  0
 25 14  1  0  0  0  0
 26 17  1  0  0  0  0
 27 18  1  0  0  0  0
 28 19  1  0  0  0  0
 29  8  1  0  0  0  0
 29 21  1  0  0  0  0
 30 15  2  0  0  0  0
 30 20  1  0  0  0  0
 31 16  1  0  0  0  0
 31 21  1  0  0  0  0
M  CHG  1  30   1
M  END
Download

3D MOL for HMDB0037975 (Cyanidin 3-rhamnoside)

HMDB0037975
     RDKit          3D
Cyanidin 3-rhamnoside
 52 55  0  0  0  0  0  0  0  0999 V2000
    4.4161    2.1481   -0.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7124    0.8690   -1.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3576    0.9554   -1.1321 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    0.0620   -0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5024    0.3409   -0.0091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6310   -0.3927   -0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -1.7019   -0.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6969   -2.3999   -0.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6997   -3.6883   -1.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5262   -4.3289   -1.7182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9404   -4.3210   -1.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1177   -3.6979   -1.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3456   -4.3446   -1.4140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0922   -2.4270   -0.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8841   -1.7782   -0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9282   -0.5731   -0.1358 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8471    0.1783    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0453    1.5249    0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0670    2.4247    0.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4155    3.6783    1.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7113    4.0805    1.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9823    5.3608    2.1236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6894    3.1583    1.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0116    3.4724    1.5365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3532    1.9174    0.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6870    0.2055    1.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1081   -0.3401    2.1604 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570   -0.5679    0.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330   -1.9307    0.9425 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3403   -0.3489   -0.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7201   -0.2344   -0.7531 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6130    2.8942   -0.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    1.9830    0.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1435    2.5141   -1.5521 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9140    0.8194   -2.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0039   -0.9499   -0.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4336   -2.1061   -0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3658   -3.9299   -1.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9477   -5.3132   -1.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7123   -4.8867   -0.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0250   -1.9297   -0.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0183    2.1975    0.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6095    4.3691    1.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9316    5.6316    2.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3956    4.3269    1.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1866    1.2465    0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8955    1.2785    1.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1371   -1.3115    2.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7637   -0.3503    1.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6798   -2.4212    0.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -1.2285   -1.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1516   -0.1350    0.1317 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 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  1  0
 23 25  2  0
  4 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  2  1  0
 17  6  1  0
 25 18  1  0
 15  8  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  2 35  1  0
  4 36  1  0
  7 37  1  0
 10 38  1  0
 11 39  1  0
 13 40  1  0
 14 41  1  0
 19 42  1  0
 20 43  1  0
 22 44  1  0
 24 45  1  0
 25 46  1  0
 26 47  1  0
 27 48  1  0
 28 49  1  0
 29 50  1  0
 30 51  1  0
 31 52  1  0
M  CHG  1  16   1
M  END
Download

3D SDF for HMDB0037975 (Cyanidin 3-rhamnoside)


  Mrv0541 05061310082D          

 31 34  0  0  0  0            999 V2000
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    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
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    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
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12  3  1  0  0  0  0
 13  5  2  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 14 12  2  0  0  0  0
 15  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20  9  1  0  0  0  0
 20 16  2  0  0  0  0
 21 19  1  0  0  0  0
 22 10  1  0  0  0  0
 23 12  1  0  0  0  0
 24 13  1  0  0  0  0
 25 14  1  0  0  0  0
 26 17  1  0  0  0  0
 27 18  1  0  0  0  0
 28 19  1  0  0  0  0
 29  8  1  0  0  0  0
 29 21  1  0  0  0  0
 30 15  2  0  0  0  0
 30 20  1  0  0  0  0
 31 16  1  0  0  0  0
 31 21  1  0  0  0  0
M  CHG  1  30   1
M  END
> <DATABASE_ID>
HMDB0037975

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H20O10/c1-8-17(26)18(27)19(28)21(29-8)31-16-7-11-13(24)5-10(22)6-15(11)30-20(16)9-2-3-12(23)14(25)4-9/h2-8,17-19,21,26-28H,1H3,(H3-,22,23,24,25)/p+1

> <INCHI_KEY>
USWXMMRFOWNEOR-UHFFFAOYSA-O

> <FORMULA>
C21H21O10

> <MOLECULAR_WEIGHT>
433.3854

> <EXACT_MASS>
433.113471892

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
41.909303333814904

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1λ⁴-chromen-1-ylium

> <ALOGPS_LOGP>
1.15

> <JCHEM_LOGP>
1.4726000000000004

> <ALOGPS_LOGS>
-3.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.457961861783367

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.38833016045714

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6122004239460104

> <JCHEM_POLAR_SURFACE_AREA>
173.21

> <JCHEM_REFRACTIVITY>
114.71379999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.44e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1λ⁴-chromen-1-ylium

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0037975 (Cyanidin 3-rhamnoside)

HMDB0037975
     RDKit          3D
Cyanidin 3-rhamnoside
 52 55  0  0  0  0  0  0  0  0999 V2000
    4.4161    2.1481   -0.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7124    0.8690   -1.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3576    0.9554   -1.1321 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    0.0620   -0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5024    0.3409   -0.0091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6310   -0.3927   -0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -1.7019   -0.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6969   -2.3999   -0.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6997   -3.6883   -1.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5262   -4.3289   -1.7182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9404   -4.3210   -1.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1177   -3.6979   -1.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3456   -4.3446   -1.4140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0922   -2.4270   -0.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8841   -1.7782   -0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9282   -0.5731   -0.1358 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8471    0.1783    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0453    1.5249    0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0670    2.4247    0.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4155    3.6783    1.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7113    4.0805    1.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9823    5.3608    2.1236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6894    3.1583    1.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0116    3.4724    1.5365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3532    1.9174    0.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6870    0.2055    1.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1081   -0.3401    2.1604 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570   -0.5679    0.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330   -1.9307    0.9425 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3403   -0.3489   -0.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7201   -0.2344   -0.7531 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6130    2.8942   -0.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    1.9830    0.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1435    2.5141   -1.5521 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9140    0.8194   -2.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0039   -0.9499   -0.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4336   -2.1061   -0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3658   -3.9299   -1.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9477   -5.3132   -1.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7123   -4.8867   -0.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0250   -1.9297   -0.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0183    2.1975    0.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6095    4.3691    1.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9316    5.6316    2.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3956    4.3269    1.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1866    1.2465    0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8955    1.2785    1.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1371   -1.3115    2.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7637   -0.3503    1.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6798   -2.4212    0.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -1.2285   -1.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1516   -0.1350    0.1317 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 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  1  0
 23 25  2  0
  4 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  2  1  0
 17  6  1  0
 25 18  1  0
 15  8  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  2 35  1  0
  4 36  1  0
  7 37  1  0
 10 38  1  0
 11 39  1  0
 13 40  1  0
 14 41  1  0
 19 42  1  0
 20 43  1  0
 22 44  1  0
 24 45  1  0
 25 46  1  0
 26 47  1  0
 27 48  1  0
 28 49  1  0
 29 50  1  0
 30 51  1  0
 31 52  1  0
M  CHG  1  16   1
M  END
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PDB for HMDB0037975 (Cyanidin 3-rhamnoside)

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       5.335   4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      12.003  -5.390   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      12.003  -2.310   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      10.669   4.620   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      10.669   1.540   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       6.668   2.310   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+1
HETATM   31  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
CONECT    1    8                                                            
CONECT    2    3    9                                                       
CONECT    3    2   12                                                       
CONECT    4    9   14                                                       
CONECT    5   10   13                                                       
CONECT    6   10   15                                                       
CONECT    7   11   16                                                       
CONECT    8    1   17   29                                                  
CONECT    9    2    4   20                                                  
CONECT   10    5    6   22                                                  
CONECT   11    7   13   15                                                  
CONECT   12    3   14   23                                                  
CONECT   13    5   11   24                                                  
CONECT   14    4   12   25                                                  
CONECT   15    6   11   30                                                  
CONECT   16    7   20   31                                                  
CONECT   17    8   18   26                                                  
CONECT   18   17   19   27                                                  
CONECT   19   18   21   28                                                  
CONECT   20    9   16   30                                                  
CONECT   21   19   29   31                                                  
CONECT   22   10                                                            
CONECT   23   12                                                            
CONECT   24   13                                                            
CONECT   25   14                                                            
CONECT   26   17                                                            
CONECT   27   18                                                            
CONECT   28   19                                                            
CONECT   29    8   21                                                       
CONECT   30   15   20                                                       
CONECT   31   16   21                                                       
MASTER        0    0    0    0    0    0    0    0   31    0   68    0
END
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3D PDB for HMDB0037975 (Cyanidin 3-rhamnoside)

COMPND    HMDB0037975
HETATM    1  C1  UNL     1       4.416   2.148  -0.825  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.712   0.869  -1.299  1.00  0.00           C  
HETATM    3  O1  UNL     1       2.358   0.955  -1.132  1.00  0.00           O  
HETATM    4  C3  UNL     1       1.829   0.062  -0.201  1.00  0.00           C  
HETATM    5  O2  UNL     1       0.502   0.341  -0.009  1.00  0.00           O  
HETATM    6  C4  UNL     1      -0.631  -0.393  -0.215  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.537  -1.702  -0.719  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.697  -2.400  -0.910  1.00  0.00           C  
HETATM    9  C7  UNL     1      -1.700  -3.688  -1.399  1.00  0.00           C  
HETATM   10  O3  UNL     1      -0.526  -4.329  -1.718  1.00  0.00           O  
HETATM   11  C8  UNL     1      -2.940  -4.321  -1.560  1.00  0.00           C  
HETATM   12  C9  UNL     1      -4.118  -3.698  -1.247  1.00  0.00           C  
HETATM   13  O4  UNL     1      -5.346  -4.345  -1.414  1.00  0.00           O  
HETATM   14  C10 UNL     1      -4.092  -2.427  -0.766  1.00  0.00           C  
HETATM   15  C11 UNL     1      -2.884  -1.778  -0.597  1.00  0.00           C  
HETATM   16  O5  UNL     1      -2.928  -0.573  -0.136  1.00  0.00           O1+
HETATM   17  C12 UNL     1      -1.847   0.178   0.080  1.00  0.00           C  
HETATM   18  C13 UNL     1      -2.045   1.525   0.605  1.00  0.00           C  
HETATM   19  C14 UNL     1      -1.067   2.425   0.884  1.00  0.00           C  
HETATM   20  C15 UNL     1      -1.416   3.678   1.383  1.00  0.00           C  
HETATM   21  C16 UNL     1      -2.711   4.081   1.619  1.00  0.00           C  
HETATM   22  O6  UNL     1      -2.982   5.361   2.124  1.00  0.00           O  
HETATM   23  C17 UNL     1      -3.689   3.158   1.332  1.00  0.00           C  
HETATM   24  O7  UNL     1      -5.012   3.472   1.536  1.00  0.00           O  
HETATM   25  C18 UNL     1      -3.353   1.917   0.838  1.00  0.00           C  
HETATM   26  C19 UNL     1       2.687   0.206   1.041  1.00  0.00           C  
HETATM   27  O8  UNL     1       2.108  -0.340   2.160  1.00  0.00           O  
HETATM   28  C20 UNL     1       3.957  -0.568   0.751  1.00  0.00           C  
HETATM   29  O9  UNL     1       3.633  -1.931   0.942  1.00  0.00           O  
HETATM   30  C21 UNL     1       4.340  -0.349  -0.683  1.00  0.00           C  
HETATM   31  O10 UNL     1       5.720  -0.234  -0.753  1.00  0.00           O  
HETATM   32  H1  UNL     1       3.613   2.894  -0.627  1.00  0.00           H  
HETATM   33  H2  UNL     1       4.934   1.983   0.139  1.00  0.00           H  
HETATM   34  H3  UNL     1       5.143   2.514  -1.552  1.00  0.00           H  
HETATM   35  H4  UNL     1       3.914   0.819  -2.391  1.00  0.00           H  
HETATM   36  H5  UNL     1       2.004  -0.950  -0.597  1.00  0.00           H  
HETATM   37  H6  UNL     1       0.434  -2.106  -0.935  1.00  0.00           H  
HETATM   38  H7  UNL     1       0.366  -3.930  -1.624  1.00  0.00           H  
HETATM   39  H8  UNL     1      -2.948  -5.313  -1.937  1.00  0.00           H  
HETATM   40  H9  UNL     1      -5.712  -4.887  -0.628  1.00  0.00           H  
HETATM   41  H10 UNL     1      -5.025  -1.930  -0.517  1.00  0.00           H  
HETATM   42  H11 UNL     1      -0.018   2.197   0.730  1.00  0.00           H  
HETATM   43  H12 UNL     1      -0.610   4.369   1.594  1.00  0.00           H  
HETATM   44  H13 UNL     1      -3.932   5.632   2.288  1.00  0.00           H  
HETATM   45  H14 UNL     1      -5.396   4.327   1.886  1.00  0.00           H  
HETATM   46  H15 UNL     1      -4.187   1.246   0.637  1.00  0.00           H  
HETATM   47  H16 UNL     1       2.896   1.279   1.221  1.00  0.00           H  
HETATM   48  H17 UNL     1       2.137  -1.311   2.209  1.00  0.00           H  
HETATM   49  H18 UNL     1       4.764  -0.350   1.464  1.00  0.00           H  
HETATM   50  H19 UNL     1       3.680  -2.421   0.084  1.00  0.00           H  
HETATM   51  H20 UNL     1       4.050  -1.229  -1.292  1.00  0.00           H  
HETATM   52  H21 UNL     1       6.152  -0.135   0.132  1.00  0.00           H  
CONECT    1    2   32   33   34
CONECT    2    3   30   35
CONECT    3    4
CONECT    4    5   26   36
CONECT    5    6
CONECT    6    7    7   17
CONECT    7    8   37
CONECT    8    9    9   15
CONECT    9   10   11
CONECT   10   38
CONECT   11   12   12   39
CONECT   12   13   14
CONECT   13   40
CONECT   14   15   15   41
CONECT   15   16
CONECT   16   17   17
CONECT   17   18
CONECT   18   19   19   25
CONECT   19   20   42
CONECT   20   21   21   43
CONECT   21   22   23
CONECT   22   44
CONECT   23   24   25   25
CONECT   24   45
CONECT   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
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SMILES for HMDB0037975 (Cyanidin 3-rhamnoside)

CC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O
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INCHI for HMDB0037975 (Cyanidin 3-rhamnoside)

InChI=1S/C21H20O10/c1-8-17(26)18(27)19(28)21(29-8)31-16-7-11-13(24)5-10(22)6-15(11)30-20(16)9-2-3-12(23)14(25)4-9/h2-8,17-19,21,26-28H,1H3,(H3-,22,23,24,25)/p+1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Cyanidin 3-alpha-L-rhamnosideHMDB
Cyanidin 3-O-alpha-L-rhamnosideHMDB
Cyanidin 3-O-rhamnosideHMDB
Chemical FormulaC21H21O10
Average Molecular Weight433.3854
Monoisotopic Molecular Weight433.113471892
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1λ⁴-chromen-1-ylium
Traditional Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1λ⁴-chromen-1-ylium
CAS Registry Number38533-30-1
SMILES
CC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O
InChI Identifier
InChI=1S/C21H20O10/c1-8-17(26)18(27)19(28)21(29-8)31-16-7-11-13(24)5-10(22)6-15(11)30-20(16)9-2-3-12(23)14(25)4-9/h2-8,17-19,21,26-28H,1H3,(H3-,22,23,24,25)/p+1
InChI KeyUSWXMMRFOWNEOR-UHFFFAOYSA-O
Chemical Taxonomy
Description Belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentAnthocyanidin-3-O-glycosides
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.44 g/LALOGPS
logP1.15ALOGPS
logP1.47ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)6.39ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area173.21 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity114.71 m³·mol⁻¹ChemAxon
Polarizability41.91 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+204.29930932474
DeepCCS[M-H]-201.90430932474
DeepCCS[M-2H]-234.78830932474
DeepCCS[M+Na]+210.21230932474
AllCCS[M+H]+200.832859911
AllCCS[M+H-H2O]+198.332859911
AllCCS[M+NH4]+203.232859911
AllCCS[M+Na]+203.932859911
AllCCS[M-H]-199.632859911
AllCCS[M+Na-2H]-199.932859911
AllCCS[M+HCOO]-200.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Cyanidin 3-rhamnosideCC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O6569.2Standard polar33892256
Cyanidin 3-rhamnosideCC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O4337.0Standard non polar33892256
Cyanidin 3-rhamnosideCC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O4300.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cyanidin 3-rhamnoside,1TMS,isomer #1CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O4171.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,1TMS,isomer #2CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O4160.5Semi standard non polar33892256
Cyanidin 3-rhamnoside,1TMS,isomer #3CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O4172.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,1TMS,isomer #4CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O4161.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,1TMS,isomer #5CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O4118.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,1TMS,isomer #6CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O4113.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,1TMS,isomer #7CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C4130.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #1CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O4041.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #10CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O4008.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #11CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C4045.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #12CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O4080.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #13CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O4053.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #14CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O4024.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #15CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C4064.5Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #16CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O4061.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #17CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O4029.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #18CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C4068.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #19CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4061.5Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #2CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O4080.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #20CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4061.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #21CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4049.5Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #3CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O4082.8Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #4CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O4045.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #5CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O4016.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #6CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C4052.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #7CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O4099.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #8CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O4098.8Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TMS,isomer #9CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O4034.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #1CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O3878.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #10CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O3880.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #11CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O3822.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #12CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C3883.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #13CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3918.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #14CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3929.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #15CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3922.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #16CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O3941.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #17CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O3901.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #18CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O3837.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #19CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C3902.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #2CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O3877.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #20CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O3886.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #21CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O3824.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #22CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C3890.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #23CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3922.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #24CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3927.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #25CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3913.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #26CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O3956.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #27CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O3920.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #28CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C3955.8Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #29CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3913.8Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #3CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O3891.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #30CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3928.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #31CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3915.5Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #32CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3922.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #33CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3933.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #34CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3920.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #35CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3992.8Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #4CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O3846.8Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #5CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C3894.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #6CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O3937.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #7CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O3885.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #8CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O3827.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TMS,isomer #9CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C3888.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #1CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O3801.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #10CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3804.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #11CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O3823.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #12CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O3764.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #13CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C3830.5Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #14CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3767.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #15CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3786.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #16CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3773.8Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #17CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3760.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #18CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3779.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #19CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3769.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #2CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O3742.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #20CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3898.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #21CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O3820.5Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #22CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O3750.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #23CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C3826.8Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #24CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3760.5Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #25CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3783.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #26CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3768.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #27CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3751.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #28CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3775.5Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #29CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3762.5Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #3CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O3758.8Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #30CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3886.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #31CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3865.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #32CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3890.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #33CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3873.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #34CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3869.8Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #35CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3883.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #4CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C3780.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #5CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O3735.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #6CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O3755.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #7CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C3776.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #8CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3793.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TMS,isomer #9CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3821.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #1CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O3728.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #10CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3768.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #11CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3761.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #12CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3774.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #13CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3773.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #14CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3766.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #15CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3755.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #16CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3741.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #17CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3755.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #18CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3753.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #19CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3748.8Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #2CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O3741.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #20CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3739.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #21CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3852.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #3CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C3760.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #4CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3714.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #5CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3733.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #6CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3739.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #7CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3713.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #8CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3730.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,5TMS,isomer #9CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3740.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,6TMS,isomer #1CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3713.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,6TMS,isomer #2CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3720.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,6TMS,isomer #3CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3734.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,6TMS,isomer #4CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3715.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,6TMS,isomer #5CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3718.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,6TMS,isomer #6CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3765.8Semi standard non polar33892256
Cyanidin 3-rhamnoside,6TMS,isomer #7CC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3747.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,1TBDMS,isomer #1CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O4439.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,1TBDMS,isomer #2CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O4428.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,1TBDMS,isomer #3CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O4452.8Semi standard non polar33892256
Cyanidin 3-rhamnoside,1TBDMS,isomer #4CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O)C1O4440.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,1TBDMS,isomer #5CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4401.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,1TBDMS,isomer #6CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4405.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,1TBDMS,isomer #7CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4414.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #1CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O4582.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #10CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4559.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #11CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4584.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #12CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O4601.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #13CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4590.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #14CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4568.5Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #15CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4596.8Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #16CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4599.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #17CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4578.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #18CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4605.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #19CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4590.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #2CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O)C1O4608.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #20CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4602.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #21CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4587.5Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #3CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O4601.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #4CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4592.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #5CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4576.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #6CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4603.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #7CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O)C1O4601.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #8CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O4593.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,2TBDMS,isomer #9CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4575.5Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #1CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O)C1O4658.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #10CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4594.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #11CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4578.8Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #12CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4627.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #13CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4636.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #14CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4659.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #15CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4646.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #16CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O4665.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #17CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4616.8Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #18CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4592.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #19CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4644.5Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #2CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O4640.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #20CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4599.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #21CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4576.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #22CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4626.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #23CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4627.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #24CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4649.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #25CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4637.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #26CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4647.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #27CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4621.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #28CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4661.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #29CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4617.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #3CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4605.8Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #30CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4636.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #31CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4620.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #32CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4630.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #33CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4651.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #34CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4635.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #35CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4688.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #4CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4577.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #5CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4625.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #6CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O4673.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #7CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4608.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #8CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4591.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,3TBDMS,isomer #9CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4642.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #1CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O4701.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #10CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4628.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #11CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4676.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #12CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4662.9Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #13CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4707.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #14CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4671.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #15CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4678.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #16CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4679.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #17CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4649.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #18CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4656.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #19CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4656.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #2CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4679.5Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #20CC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4729.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #21CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4667.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #22CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4652.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #23CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4700.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #24CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4669.2Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #25CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4677.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #26CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4677.5Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #27CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4647.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #28CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4652.5Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #29CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4652.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #3CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4715.5Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #30CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4711.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #31CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4694.7Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #32CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4708.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #33CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4687.0Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #34CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4697.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #35CC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4723.1Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #4CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4731.8Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #5CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4653.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #6CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4688.3Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #7CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4705.6Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #8CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4641.4Semi standard non polar33892256
Cyanidin 3-rhamnoside,4TBDMS,isomer #9CC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4653.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-rhamnoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-07vr-9200200000-a9ccc378b5a7f20bb7f72017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-rhamnoside GC-MS (3 TMS) - 70eV, Positivesplash10-001i-9200016000-93b2ae7b6326bd1cd25f2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-rhamnoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-rhamnoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-rhamnoside 10V, Positive-QTOFsplash10-001i-0100900000-327a2f4a32de03a362b62016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-rhamnoside 20V, Positive-QTOFsplash10-001i-0500900000-f733e7b1fa193ce050cd2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-rhamnoside 40V, Positive-QTOFsplash10-000j-9710000000-b43063564ad7df09ec422016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-rhamnoside 10V, Negative-QTOFsplash10-001i-2200900000-802c119d95a8e30a91422016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-rhamnoside 20V, Negative-QTOFsplash10-001i-6500900000-7356383ba4746d85f0b22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-rhamnoside 40V, Negative-QTOFsplash10-0a4l-9200000000-5cf276c40d8a675501142016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-rhamnoside 10V, Positive-QTOFsplash10-0019-0090800000-f39a2e16f9e0e9e283532021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-rhamnoside 20V, Positive-QTOFsplash10-000i-0091200000-041d5a9e23ae54ff83742021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-rhamnoside 40V, Positive-QTOFsplash10-000l-2090100000-6351d0cc943134a82f552021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB017152
KNApSAcK IDC00006653
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound72812405
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Enzymes

Enzyme Details
1. Catechol O-methyltransferase
General function:
Involved in magnesium ion binding
Specific function:
Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.
Gene Name:
COMT
Uniprot ID:
P21964
Molecular weight:
30036.77
Reactions
Cyanidin 3-rhamnoside → Peonidin 3-rhamnosidedetails