octoketide

Chemical Formula:

C₁₆H₁₃O₇

Molecular Weight:

317.274 Daltons

Monoisotopic Mass:

318.0739528041 Daltons

SMILES:

CC1(O)(CC(=O)C3(C(O1)=CC(O)=CC(CC2(OC(=O)C=C([O-])C=2))=3))

InChI:

1S/C16H14O7/c1-16(21)7-12(19)15-8(2-9(17)5-13(15)23-16)3-11-4-10(18)6-14(20)22-11/h2,4-6,17-18,21H,3,7H2,1H3/p-1

InChIKey:

WFNZGUNBSCUXFX-UHFFFAOYSA-M

Synonyms

Databases

MetaCyc: CPD-11555

PubChem (CID): 44237243

Seed: cpd22996

MetaNetX: MNXM12512