input word = C00023169

Metabolite InformationStructural formula
Name Semi-alpha-carotenone
Formula C40H56O2
Mw 568.42803103
CAS RN 27840-51-3
C_ID C00023169 ,
InChIKey OPGDFUSKKYCZKS-BYORDMDQNA-N
InChICode InChI=1S/C40H56O2/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38(42)40(9,10)30-16-24-36(6)41/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1
SMILES CC(=O)CCCC(C(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@@H]1C(CCC=C1C)(C)C)\C)\C)/C)/C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCorbiculidaeCorbicula japonica Ref.
PlantaeCorbiculidaeCorbicula sandai Ref.
PlantaeRutaceaeMurraya exotica Ref.
PlantaeRutaceaeMurraya paniculata Ref.
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