Summary

IMPPAT Phytochemical identifier: IMPHY012789

Phytochemical name: Ginsenoyne B

Synonymous chemical names:
ginsenoyne b

External chemical identifiers:
CID:5317633

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Chemical structure information

SMILES:
C=CCCCCCC(C(CC#CC#CC(C=C)O)O)Cl

InChI:
InChI=1S/C17H23ClO2/c1-3-5-6-7-10-13-16(18)17(20)14-11-8-9-12-15(19)4-2/h3-4,15-17,19-20H,1-2,5-7,10,13-14H2

InChIKey:
MORPELUWUARUFU-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCCCCCC#CC#CCC=C))O)))))))O))Cl

Functional groups:
C=CC, CC#CC#CC, CCl, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organohalogen compounds

ClassyFire Class: Halohydrins

ClassyFire Subclass: Chlorohydrins

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 2.748

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Chemical structure download