Summary

IMPPAT Phytochemical identifier: IMPHY015927

Phytochemical name: Sedanonic acid

Synonymous chemical names:
sedanonic acid

External chemical identifiers:
CID:12367058, ChEBI:142275

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Chemical structure information

SMILES:
CCCCC(=O)C1CCCC=C1C(=O)O

InChI:
InChI=1S/C12H18O3/c1-2-3-8-11(13)9-6-4-5-7-10(9)12(14)15/h7,9H,2-6,8H2,1H3,(H,14,15)

InChIKey:
PHVSWPDOXIQPTN-UHFFFAOYSA-N

DeepSMILES:
CCCCC=O)CCCCC=C6C=O)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

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: Keto acids and derivatives

ClassyFire Subclass: Gamma-keto acids and derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: Phthalide derivatives

NP-Likeness score: 1.116

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Chemical structure download