input word = C00022996

Metabolite InformationStructural formula
Name Thiothece 474
1',2'-Dihydro-1'-methoxy-beta,psi-caroten-4'-one
Formula C41H58O2
Mw 582.44368109
CAS RN 38647-31-3
C_ID C00022996 ,
InChIKey VOXGPKABGLVWPB-XBIRMVLJSA-N
InChICode InChI=1S/C41H58O2/c1-32(20-14-22-34(3)24-16-25-37(6)39(42)29-31-41(9,10)43-11)18-12-13-19-33(2)21-15-23-35(4)27-28-38-36(5)26-17-30-40(38,7)8/h12-16,18-25,27-28H,17,26,29-31H2,1-11H3/b13-12+,20-14+,21-15+,24-16+,28-27+,32-18+,33-19+,34-22+,35-23+,37-25+
SMILES C1CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C(=O)CCC(OC)(C)C)\C)\C)\C)/C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaChromatiaceaeThiocystis gelatinosa 2611 Ref.
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