Summary

IMPPAT Phytochemical identifier: IMPHY007024

Phytochemical name: Foeniculoside IX

Synonymous chemical names:
foeniculoside ix

External chemical identifiers:
CID:73657189, ChEBI:175424

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Chemical structure information

SMILES:
OCC1OC(OC2CC3C(CC2(C)OC3(C)C)O)C(C(C1O)O)O

InChI:
InChI=1S/C16H28O8/c1-15(2)7-4-10(16(3,24-15)5-8(7)18)23-14-13(21)12(20)11(19)9(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3

InChIKey:
ZAYDZFSAMSYTBB-UHFFFAOYSA-N

DeepSMILES:
OCCOCOCCCCCC6C)OC6C)C)))))O))))))CCC6O))O))O

Functional groups:
CO, COC, COC(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OC2CC3CCC2OC3)OC1

Scaffold Graph/Node level:
C1CCC(OC2CC3CCC2OC3)OC1

Scaffold Graph level:
C1CCC(CC2CC3CCC2CC3)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 3.021

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Chemical structure download