(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-β-caroten-12'-al

Chemical Formula:

C₂₅H₃₄O₃

Molecular Weight:

382.542 Daltons

Monoisotopic Mass:

382.2507949577 Daltons

SMILES:

CC(=CC=CC=C(C)C=O)C=CC=C(C)C=C=C1(C(O)(C)CC(O)CC(C)(C)1)

InChI:

1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-23-24(4,5)16-22(27)17-25(23,6)28/h7-14,18,22,27-28H,16-17H2,1-6H3/b8-7+,12-9+,19-10+,20-13+,21-11+/t15?,22?,25-/m1/s1

InChIKey:

MFDUGTOOXGORRX-ORGLZDQCSA-N

Synonyms

C25-allenic-apo-aldehyde

Databases

MetaCyc: CPD1F-4

ChEBI: 34596

PubChem (CID): 25245424

KEGG: C14044

Seed: cpd09769

MetaNetX: MNXM4180