capsanthin
Chemical Formula:
C40H56O3
Molecular Weight:
584.881 Daltons
Monoisotopic Mass:
584.4229456639 Daltons
SMILES:
CC(C=CC=C(C)C=CC1(=C(C)CC(O)CC(C)(C)1))=CC=CC=C(C)C=CC=C(C)C=CC(C2(C)(C(C)(C)CC(O)C2))=O
InChI:
1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,35+,40+/m1/s1
InChIKey:
Databases
MetaCyc:
CAPSANTHIN
PubChem (CID):
5281228
MetaboLights:
MTBLC3375
HMDB:
HMDB36590
LIPID MAPS:
LMPR01070265
ChEBI:
3375
KEGG:
C08584
RefMet:
Capsanthin
Seed:
cpd05491
MetaNetX:
MNXM3555