input word = C00023025

Metabolite InformationStructural formula
Name Capsoneoxanthin
(3S,3'S,5R,5'R,6R)-6,7-Didehydro-5,6-dihydro-3,3',5-trihydroxy-beta,kappa-caroten-6'-one
Formula C40H56O4
Mw 600.41786028
CAS RN 310898-15-8
C_ID C00023025 ,
InChIKey CHUCTZTVUGPRQU-CPTAWLNTNA-N
InChICode InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35-37(5,6)25-33(41)28-40(35,10)44)15-11-12-16-30(2)18-14-20-32(4)22-24-36(43)39(9)27-34(42)26-38(39,7)8/h11-22,24,33-34,41-42,44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-22+,29-15+,30-16+,31-19+,32-20+/t23-,33-,34-,39-,40+/m0/s1
SMILES C1(=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(C)O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus falcatus Ref.
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OrganismAsparagus falcatus
ReferenceDeli,Tetrahedron Lett.,41,(2000),8153