marinolic acid C
Chemical Formula:
C31H53O8
Molecular Weight:
553.755 Daltons
Monoisotopic Mass:
554.3818687102 Daltons
SMILES:
CC(=CC(OCCCCCCCCCCCCCC(=O)[O-])=O)C[CH]1(C(O)C(O)[CH](CC=CC(C(C)O)C)CO1)
InChI:
1S/C31H54O8/c1-23(20-27-31(37)30(36)26(22-39-27)17-15-16-24(2)25(3)32)21-29(35)38-19-14-12-10-8-6-4-5-7-9-11-13-18-28(33)34/h15-16,21,24-27,30-32,36-37H,4-14,17-20,22H2,1-3H3,(H,33,34)/p-1/b16-15+,23-21+/t24-,25+,26+,27+,30-,31+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-18978
MetaNetX:
MNXM168296
ChEBI:
142975