Summary

IMPPAT Phytochemical identifier: IMPHY013204

Phytochemical name: 2,3-Dihydroxy-2,4-cyclopentadien-1-one

Synonymous chemical names:
2,3-dihydroxy-2,4-cyclopentadien-1-one

External chemical identifiers:
CID:14412554, ChEBI:173369, SureChEMBL:SCHEMBL11664840

---

Chemical structure information

SMILES:
OC1=C(O)C=CC1=O

InChI:
InChI=1S/C5H4O3/c6-3-1-2-4(7)5(3)8/h1-2H,(H2,6,7,8)

InChIKey:
RUOZZXHSVNXNKB-UHFFFAOYSA-N

DeepSMILES:
OC=CO)C=CC5=O

Functional groups:
O=C1C=CC(O)=C1O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC=C1

Scaffold Graph/Node level:
OC1CCCC1

Scaffold Graph level:
CC1CCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Vinylogous acids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 1.409

---

Chemical structure download