4'-hydroxyadonixanthin

Chemical Formula:

C₄₀H₅₄O₄

Molecular Weight:

598.864 Daltons

Monoisotopic Mass:

598.4022102218 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(C(O)C(CC2(C)C)O)C)

InChI:

1S/C40H54O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-37,41-43H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37?/m0/s1

InChIKey:

DNKQGUYVWUAYIE-YNMKFKMASA-N

Synonyms

3,3',4'-trihydroxy-4-keto-β,β-carotene

Databases

MetaCyc: CPD-20426

PubChem (CID): 131841604