input word = C00022872

Metabolite InformationStructural formula
Name 3'-Epilutein
Calthaxanthin
Lutein B
(3R,3'S,6'R)-beta,epsilon-Carotene-3,3'-diol
Formula C40H56O2
Mw 568.42803103
CAS RN 52842-48-5
C_ID C00022872 ,
InChIKey KBPHJBAIARWVSC-SNPVPOGANA-N
InChICode 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/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,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(C[C@@H](C=C1C)O)(C)C)\C)\C)/C)/C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaSiluridaeSilurus asotus Ref.
AnimaliaSiluridaeSilurus microdorsalis Ref.
PlantaePaeoniaceaePaeonia officinalis Ref.
PlantaeRanunculaceaeCaltha palustris Ref.
PlantaeRosaceaeRosa gallica var. officinalis Ref.
PlantaeRosaceaeRosa odorata var. pseudindica Ref.
--Potamon dehaari Ref.
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