isochorismate

Chemical Formula:

C₁₀H₈O₆

Molecular Weight:

224.17 Daltons

Monoisotopic Mass:

226.04773805359997 Daltons

SMILES:

C=C(C(=O)[O-])OC1(C=CC=C(C1O)C([O-])=O)

InChI:

1S/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/p-2/t7-,8-/m0/s1

InChIKey:

NTGWPRCCOQCMGE-YUMQZZPRSA-L

Synonyms

Databases

MetaCyc: ISOCHORISMATE

BiGG: ichor

DRUGBANK: DB02793

ChemSpider: 4574080

PubChem (CID): 5460580

ChEBI: 29780

KEGG: C00885

Seed: cpd00658

MetaNetX: MNXM799

3DMET: B01349

CAS: 22642-82-6