input word = C00022982

Metabolite InformationStructural formula
Name (4'S,5'S,6'S)-4'-Hydroxy-5',6'-dihydro-beta,beta-caroten-4-one
Formula C40H56O2
Mw 568.42803103
CAS RN 98509-02-5
C_ID C00022982 ,
InChIKey CBMMHDFSRYRFMK-PHGBCELNNA-N
InChICode InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,33,35,37,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,35-,37-/m0/s1
SMILES C1CC(=O)C(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@@H]1C(CC[C@@H]([C@H]1C)O)(C)C)\C)\C)/C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaFasciolariidaeFusinus perplexus Ref.
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OrganismFusinus perplexus
ReferenceTsushima,J. Nat. Prod.,64,(2001),1139