input word = C00022983

Metabolite InformationStructural formula
Name 3'-Dehydrolutein
(3R,6'R)-3-Hydroxy-beta,epsilon-caroten-3'-one
Formula C40H54O2
Mw 566.41238097
CAS RN 23984-55-6
C_ID C00022983 ,
InChIKey OABQIJAIRYEICK-VWKDKMMHNA-N
InChICode InChI=1S/C40H54O2/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/h11-25,36-37,42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t36-,37+/m1/s1
SMILES C1[C@@H](CC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@@H]1C(CC(=O)C=C1C)(C)C)\C)\C)/C)/C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCaltha palustris Ref.
--Samia cynthia pryeri Ref.
--Sarcocheilichthys variegatus Ref.
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