C37-phenolcarboxyphthiodiolenone

Chemical Formula:

C₃₇H₆₁O₆

Molecular Weight:

601.885 Daltons

Monoisotopic Mass:

602.4546397228 Daltons

SMILES:

CC(C(=O)C(C)C([O-])=O)=CCCCC(O)CC(O)CCCCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)

InChI:

1S/C37H62O6/c1-30(36(41)31(2)37(42)43)21-19-20-24-35(40)29-34(39)23-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-32-25-27-33(38)28-26-32/h21,25-28,31,34-35,38-40H,3-20,22-24,29H2,1-2H3,(H,42,43)/p-1/b30-21+/t31?,34-,35-/m1/s1

InChIKey:

NOPRQTLTRNMTGN-KSDHXHIXSA-M

Synonyms

(4E,9R,11R)-9,11-dihydroxy-29-(4-hydroxyphenyl)-2,4-dimethyl-3-oxononacos-4-enoate

Databases

MetaCyc: CPD-18671

PubChem (CID): 122706027

MetaNetX: MNXM164648