adonixanthin

Chemical Formula:

C₄₀H₅₄O₃

Molecular Weight:

582.865 Daltons

Monoisotopic Mass:

582.4072955997001 Daltons

SMILES:

CC(=CC=CC=C(C=CC=C(C=CC1(C(CC(C(C=1C)=O)O)(C)C))C)C)C=CC=C(C)C=CC2(=C(CC(CC2(C)C)O)C)

InChI:

1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37+/m1/s1

InChIKey:

YECXHLPYMXGEBI-ZNQVSPAOSA-N

Synonyms

3,3'-dihydroxy-4-keto-β,β-carotene

Databases

MetaCyc: CPD-7852

ChEBI: 80217

PubChem (CID): 16061189

ChemSpider: 8479212

KEGG: C15968

Seed: cpd14692

MetaNetX: MNXM3897