Summary

IMPPAT Phytochemical identifier: IMPHY003067

Phytochemical name: 3-Methyl-1-(3-methylfuran-2-yl)butane-2,3-diol

Synonymous chemical names:
elshotzidol

External chemical identifiers:
CID:3084495

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Chemical structure information

SMILES:
OC(C(O)(C)C)Cc1occc1C

InChI:
InChI=1S/C10H16O3/c1-7-4-5-13-8(7)6-9(11)10(2,3)12/h4-5,9,11-12H,6H2,1-3H3

InChIKey:
GVWLWKOBGSTYTA-UHFFFAOYSA-N

DeepSMILES:
OCCO)C)C))Ccoccc5C

Functional groups:
CO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.77

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Chemical structure download