capsorubin
Chemical Formula:
C40H56O4
Molecular Weight:
600.88 Daltons
Monoisotopic Mass:
600.417860286 Daltons
SMILES:
CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C1(C)(C(C)(C)CC(O)C1))C=CC=C(C)C=CC(C2(C)(C(C)(C)CC(O)C2))=O
InChI:
1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,39-,40-/m0/s1
InChIKey:
Databases
MetaCyc:
CAPSORUBIN
RefMet:
Capsorubin
HMDB:
HMDB36924
LIPID MAPS:
LMPR01070048
ChemSpider:
4444641
PubChem (CID):
5281229
KEGG:
C08585
ChEBI:
3378
Seed:
cpd05492
MetaNetX:
MNXM3556