Summary

IMPPAT Phytochemical identifier: IMPHY005832

Phytochemical name: Floribundoside

Synonymous chemical names:
floribundoside

External chemical identifiers:
CID:22524479, ChEBI:168115

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](Oc2cc(O)cc3c2C(=O)CC(O3)c2ccc(cc2)O)[C@@H]([C@@H]([C@@H]1O)O)O

InChI:
InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-6,13,16,18-24,26-28H,7-8H2/t13?,16-,18-,19-,20-,21-/m1/s1

InChIKey:
MFQIWHVVFBCURA-SLOQVBGBSA-N

DeepSMILES:
OC[C@H]O[C@@H]OcccO)ccc6C=O)CCO6)cccccc6))O)))))))))))))))[C@@H][C@@H][C@@H]6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2cccc(OC3CCCCO3)c21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCC(OC3CCCCO3)C12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCC(CC3CCCCC3)C12

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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: Flavanones

NP-Likeness score: 2.249

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Chemical structure download