input word = C00023029

Metabolite InformationStructural formula
Name 5,6-Diepicapsokarpoxanthin
(3S,3'S,5S,5'R,6S)-5,6-Dihydro-3,3',5,6-tetrahydroxy-beta,kappa-caroten-6'-one
Formula C40H58O5
Mw 618.42842496
CAS RN 211804-92-1
C_ID C00023029 ,
InChIKey LYYDEPKDTUIGFR-JUNCSXFKNA-N
InChICode InChI=1S/C40H58O5/c1-29(17-13-19-31(3)21-22-35(43)38(9)27-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40(45)37(7,8)26-34(42)28-39(40,10)44/h11-24,33-34,41-42,44-45H,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@]1(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C(=O)[C@@]2(C[C@H](CC2(C)C)O)C)\C)\C)/C)/C)(C(C[C@@H](C[C@@]1(O)C)O)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum var. longum Ref.
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