Summary

IMPPAT Phytochemical identifier: IMPHY000686

Phytochemical name: Tropic acid

Synonymous chemical names:
tropic acid

External chemical identifiers:
CID:10726, ChEBI:30765, FDASRS:9RM4U80765, SureChEMBL:SCHEMBL468727, MolPort-001-768-708

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Chemical structure information

SMILES:
OCC(c1ccccc1)C(=O)O

InChI:
InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)

InChIKey:
JACRWUWPXAESPB-UHFFFAOYSA-N

DeepSMILES:
OCCcccccc6))))))C=O)O

Functional groups:
CC(=O)O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Hydroxy acids and derivatives

ClassyFire Subclass: Beta hydroxy acids and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.417

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Chemical structure download