input word = C00023014

Metabolite InformationStructural formula
Name 3',4'-Didehydro-1,1',2,2'-tetrahydro-1,1'-dimethoxy-psi,psi-caroten-4-one
Formula C42H60O3
Mw 612.45424578
CAS RN 52062-27-8
C_ID C00023014 ,
InChIKey KSAQIRSWZGLSET-BOIKDPEESA-N
InChICode InChI=1S/C42H60O3/c1-34(22-15-24-36(3)25-17-27-38(5)29-19-32-41(7,8)44-11)20-13-14-21-35(2)23-16-26-37(4)28-18-30-39(6)40(43)31-33-42(9,10)45-12/h13-30H,31-33H2,1-12H3/b14-13+,22-15+,23-16+,25-17+,28-18+,29-19+,34-20+,35-21+,36-24+,37-26+,38-27+,39-30+
SMILES C(=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\CC(C)(OC)C)/C)/C)/C)\C)\C)/C=C(/C(=O)CCC(C)(OC)C)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Rhodopila globiformis 7950 Ref.
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