Summary

IMPPAT Phytochemical identifier: IMPHY004822

Phytochemical name: Rhamnetin 3-galactoside

Synonymous chemical names:
rhamnetin 3-galactoside, rhamnetin-3-galactoside

External chemical identifiers:
CID:44259577

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Chemical structure information

SMILES:
OC[C@H]1O[C@H](Oc2c(oc3c(c2=O)c(O)cc(c3)OC)c2ccc(c(c2)O)O)C(C([C@H]1O)O)O

InChI:
InChI=1S/C22H22O12/c1-31-9-5-12(26)15-13(6-9)32-20(8-2-3-10(24)11(25)4-8)21(17(15)28)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18?,19?,22-/m1/s1

InChIKey:
PHEWILLIAJUBQE-AJSGNWPESA-N

DeepSMILES:
OC[C@H]O[C@H]Occoccc6=O))cO)ccc6)OC))))))))cccccc6)O))O))))))))CC[C@H]6O))O))O

Functional groups:
CO, c=O, cO, cOC, cO[C@H](C)OC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(OC2CCCCO2)c(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC(C2CCCCC2)C1OC1CCCCO1

Scaffold Graph level:
CC1C2CCCCC2CC(C2CCCCC2)C1CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.967

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Chemical structure download