lactucaxanthin

Chemical Formula:

C₄₀H₅₆O₂

Molecular Weight:

568.881 Daltons

Monoisotopic Mass:

568.4280310418 Daltons

SMILES:

CC(=CC=CC=C(C)C=CC=C(C)C=CC1(C(C)(C)CC(O)C=C(C)1))C=CC=C(C)C=CC2(C(C)(C)CC(O)C=C(C)2)

InChI:

1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-,38-/m0/s1

InChIKey:

BIPAHAFBQLWRMC-SUOWZELTSA-N

Synonyms

ε,ε-carotene-3,3'-diol

Databases

MetaCyc: CPD-7416

PubChem (CID): 5281242

LIPID MAPS: LMPR01070273

ChEBI: 6357

KEGG: C08599

Seed: cpd05506

MetaNetX: MNXM59676