input word = C00022977

Metabolite InformationStructural formula
Name 3-hydroxyechinenone
3-Hydroxyechinenone
3-Hydroxy-beta,beta-caroten-4-one
Formula C40H54O2
Mw 566.41238097
CAS RN 4339-77-9
C_ID C00022977 ,
InChIKey DFNMSBYEEKBETA-GVVOHZSFNA-N
InChICode InChI=1S/C40H54O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-21,23-26,37,41H,15,22,27-28H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+/t37-/m1/s1
SMILES CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(O)CC2(C)C)C(C)(C)CCC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaRhizobiaceaeRhizobium lupini Ref.
FungiCystofilobasidiaceaePhaffia rhodozyma Ref.
PlantaePolyphysaceaeAcetabularia mediterranea Ref.
PlantaeRanunculaceaeAdonis annua Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
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