input word = C00023013

Metabolite InformationStructural formula
Name 2-Ketospirilloxanthin
3,3',4,4'-Tetradehydro-1,1',2,2'-tetrahydro-1,1'-dimethoxy-2-oxo-psi,psi-carotene
Formula C42H58O3
Mw 610.43859572
CAS RN 106423-77-2
C_ID C00023013 ,
InChIKey AUIMFBMJZYMMRO-MRLRKSOKSA-N
InChICode InChI=1S/C42H58O3/c1-34(22-15-24-36(3)26-17-28-38(5)30-19-33-41(7,8)44-11)20-13-14-21-35(2)23-16-25-37(4)27-18-29-39(6)31-32-40(43)42(9,10)45-12/h13-32H,33H2,1-12H3/b14-13+,22-15+,23-16+,26-17+,27-18+,30-19+,32-31+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+
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=C/C(=O)C(C)(OC)C)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Rubrivivax gelatinosus Ref.
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