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:
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