input word = C00023168

Metabolite InformationStructural formula
Name Semi-beta-carotenone
Formula C40H56O2
Mw 568.42803103
CAS RN 20126-73-2
C_ID C00023168 ,
InChIKey PDBIWYOLPQXSTF-JLTXGRSLSA-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/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
SMILES CC(=O)CCCC(C)(C)C(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCorbiculidaeCorbicula japonica Ref.
PlantaeCorbiculidaeCorbicula sandai Ref.
PlantaeRutaceaeMurraya exotica Ref.
PlantaeRutaceaeTriphasia trifolia Ref.
PlantaeZamiaceaeCeratozamia kuesteriana Ref.
PlantaeZamiaceaeCeratozamia mexicana Ref.
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OrganismCeratozamia kuesteriana
ReferenceCardini,Phytochem.,26,(1987),2029