prephenate

Chemical Formula:

C₁₀H₈O₆

Molecular Weight:

224.17 Daltons

Monoisotopic Mass:

226.04773805359997 Daltons

SMILES:

C(=O)([O-])C(=O)CC1(C(=O)[O-])(C=CC(O)C=C1)

InChI:

1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)/p-2/t6-,10+

InChIKey:

FPWMCUPFBRFMLH-XGAOUMNUSA-L

Synonyms

Databases

MetaCyc: PREPHENATE

BiGG: pphn

HMDB: HMDB12283

ChemSpider: 4573884

PubChem (CID): 5460303

ChEBI: 29934 84387

KEGG: C00254

CAS: 126-49-8

Seed: cpd00219

MetaNetX: MNXM503

PupChem (SID): 3553

KNApSAcK: C00019632

PDB-CCD: PRE

3DMET: B00074

NIKKAJI: J38.009A