C35-phenolcarboxyphthiodiolenone

Chemical Formula:

C₃₅H₅₇O₆

Molecular Weight:

573.832 Daltons

Monoisotopic Mass:

574.4233395944 Daltons

SMILES:

CC(C(=O)C(C)C([O-])=O)=CCCCC(O)CC(O)CCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)

InChI:

1S/C35H58O6/c1-28(34(39)29(2)35(40)41)19-17-18-22-33(38)27-32(37)21-16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-30-23-25-31(36)26-24-30/h19,23-26,29,32-33,36-38H,3-18,20-22,27H2,1-2H3,(H,40,41)/p-1/b28-19+/t29?,32-,33-/m1/s1

InChIKey:

LELXAHHDNXXYGR-BHHMAVKCSA-M

Synonyms

(4E)-9,11-dihydroxy-27-(4-hydroxyphenyl)-2,4-dimethyl-3-oxoheptacos-4-enoate

Databases

MetaCyc: CPD-18670

PubChem (CID): 122706369

MetaNetX: MNXM164641