stipitatate

Chemical Formula:

C₈H₄O₅

Molecular Weight:

180.117 Daltons

Monoisotopic Mass:

182.0215233031 Daltons

SMILES:

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

InChI:

1S/C8H6O5/c9-5-1-4(8(12)13)2-6(10)7(11)3-5/h1-3,9H,(H,10,11)(H,12,13)/p-2

InChIKey:

ANEBWDNUQVPSJT-UHFFFAOYSA-L

Databases

MetaCyc: STIPIT-CPD

RefMet: Stipitatic acid

PubChem (CID): 54740357 20501

ChEBI: 57587

KEGG: C01853

CAS: 4440-39-5

Seed: cpd01276

MetaNetX: MNXM92662