octoketide 4b

Chemical Formula:

C₁₆H₁₃O₇

Molecular Weight:

317.274 Daltons

Monoisotopic Mass:

318.0739528041 Daltons

SMILES:

CC3(C=C(O)C=C2(OC(O)(CC1(=CC([O-])=CC(=O)O1))CC(=O)C2=3))

InChI:

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

InChIKey:

PCNFFWATXFRKOF-UHFFFAOYSA-M

Synonyms

Databases

MetaCyc: CPD-11556

PubChem (CID): 44237397

Seed: cpd22997

MetaNetX: MNXM12513