input word = C00023021

Metabolite InformationStructural formula
Name Idoxanthin
3,3',4'-Trihydroxy-beta,beta-caroten-4-one
Formula C40H54O4
Mw 598.40221021
CAS RN 25510-19-4
C_ID C00023021 ,
InChIKey DNKQGUYVWUAYIE-QISQUURKNA-N
InChICode InChI=1S/C40H54O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-37,41-43H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36+,37-/m1/s1
SMILES C1(=C(C(=O)[C@H](CC1(C)C)O)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C([C@H]([C@@H](CC1(C)C)O)O)C)\C)\C)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCyprinidaeCyprinus carpio Ref.
zoom in