(3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-β-caroten-12'-al
Chemical Formula:
C25H34O3
Molecular Weight:
382.542 Daltons
Monoisotopic Mass:
382.2507949577 Daltons
SMILES:
CC(C=CC=C(C)C=CC12(OC(CC(O)CC(C)(C)1)2))=CC=CC=C(C)CC=O
InChI:
1S/C25H34O3/c1-19(9-6-7-10-21(3)14-16-26)11-8-12-20(2)13-15-25-23(28-25)17-22(27)18-24(25,4)5/h6-13,15-16,22-23,27H,14,17-18H2,1-5H3/b7-6+,11-8+,15-13+,19-9+,20-12+,21-10+/t22-,23?,25-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-7280
PubChem (CID):
25246021
Seed:
cpd09770
ChEBI:
34597
MetaNetX:
MNXM4181
KEGG:
C14045