caloxanthin
Chemical Formula:
C40H56O3
Molecular Weight:
584.881 Daltons
Monoisotopic Mass:
584.4229456639 Daltons
SMILES:
CC(=CC=CC=C(C=CC=C(C=CC1(C(C)(C)C(O)C(CC=1C)O))C)C)C=CC=C(C=CC2(=C(CC(CC(C)(C)2)O)C))C
InChI:
1S/C40H56O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)27-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)26-37(42)38(43)40(36,9)10/h11-24,34,37-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37-,38+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-15032
ChEBI:
80419
KEGG:
C16282
PubChem (CID):
16061255
Seed:
cpd14998
MetaNetX:
MNXM7145