Summary

IMPPAT Phytochemical identifier: IMPHY015926

Phytochemical name: (S)-Santolina acetate

Synonymous chemical names:
santolinyl acetate

External chemical identifiers:
CID:21630872, ChEBI:172061

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Chemical structure information

SMILES:
C=CC(C(OC(=O)C)(C)C)C=C(C)C

InChI:
InChI=1S/C12H20O2/c1-7-11(8-9(2)3)12(5,6)14-10(4)13/h7-8,11H,1H2,2-6H3

InChIKey:
NHUKUXHBUOLLAY-UHFFFAOYSA-N

DeepSMILES:
C=CCCOC=O)C)))C)C))C=CC)C

Functional groups:
C=CC, CC=C(C)C, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Irregular monoterpenoids

NP-Likeness score: 1.512

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Chemical structure download