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=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sinensis Ref.
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