input word = C00023042

Metabolite InformationStructural formula
Name Capsanthin 3,6-epoxide
(3S,3'S,5R,5'R,6R)-3,6-Epoxy-5,6-dihydro-3',5-dihydroxy-beta,kappa-caroten-6'-one
Formula C40H56O4
Mw 600.41786028
CAS RN 103955-76-6
C_ID C00023042 ,
InChIKey TWTPPPZIWNGQCQ-DXSXGSONNA-N
InChICode InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,33-34,41,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t33-,34-,38-,39+,40+/m0/s1
SMILES [C@@]12(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C(=O)[C@@]3(C[C@H](CC3(C)C)O)C)\C)\C)/C)/C)C(C[C@@H](C[C@@]1(C)O)O2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum var. longum Ref.
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