trans-neoxanthin
Chemical Formula:
C40H56O4
Molecular Weight:
600.88 Daltons
Monoisotopic Mass:
600.417860286 Daltons
SMILES:
CC(C=CC=C(C)[CH]=C=C1(C(O)(C)CC(O)CC(C)(C)1))=CC=CC=C(C)C=CC=C(C)C=CC23(C(C)(C)CC(O)CC(C)(O2)3)
InChI:
1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22?,33-,34-,38+,39+,40-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD1F-135
PubChem (CID):
5281247
MetaboLights:
MTBLC32446
HMDB:
HMDB03020
ChEBI:
32446
KEGG:
C08606
MetaNetX:
MNXM3211