input word = C00023114

Metabolite InformationStructural formula
Name (3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8'-apo-beta,psi-carotenal
Formula C30H40O3
Mw 448.29774514
CAS RN 75715-17-2
C_ID C00023114 ,
InChIKey TUSQPOXZYYVVMH-QUSWETJBNA-N
InChICode InChI=1S/C30H40O3/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-30-28(5,6)20-27(32)21-29(30,7)33-30/h8-19,22,27,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16+,26-17+/t27-,29+,30-/m0/s1
SMILES C(=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(/C=O)\C)/C)\C)\C)/[C@]12C(C[C@@H](C[C@@]1(C)O2)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sinensis Ref.
zoom in