Summary

IMPPAT Phytochemical identifier: IMPHY009714

Phytochemical name: Muricatin B

Synonymous chemical names:
muricatin b, muricatin b (14-o-biglucoside-y-stearolactone)

External chemical identifiers:
CID:102149675

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC(C(C(CCC(C1CCC(O1)CCCCCC(CC1=CC(OC1=O)C)O)O)O)O)O

InChI:
InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-12-16-19-31(38)34(40)32(39)22-21-30(37)33-23-20-29(43-33)18-15-13-14-17-28(36)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3

InChIKey:
FGCDKPLSSBIFSL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCO5)CCCCCCCC=CCOC5=O)))C)))))O)))))))))))O))))O))O))O

Functional groups:
CC1=CCOC1=O, CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCC=C1CCCCCCCC1CCCO1

Scaffold Graph/Node level:
OC1OCCC1CCCCCCCC1CCCO1

Scaffold Graph level:
CC1CCCC1CCCCCCCC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Linear polyketides

NP Classifier Class: Acetogenins

NP-Likeness score: 2.251

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Chemical structure download