input word = C00046519

Metabolite InformationStructural formula
Name Xenibecin
(-)-Xenibecin
Formula C22H34O4
Mw 362.24570957
CAS RN 479067-64-6
C_ID C00046519 ,
InChIKey FQSNNBZYQHKNDZ-BIEBEFAENA-N
InChICode InChI=1S/C22H34O4/c1-15-9-7-10-16(2)19-17(13-12-15)18(11-8-14-22(3,4)23)20(24-5)26-21(19)25-6/h8-9,11,14,17,19-21,23H,2,7,10,12-13H2,1,3-6H3/b14-8+,15-9-,18-11+/t17-,19+,20+,21+/m1/s1
SMILES C=C1CC/C=C(/C)CC[C@@H]2/C(=CC=CC(C)(C)O)[C@@H](OC)O[C@H](OC)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePortulacaceae/XeniidaeXenia umbellata Ref.
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OrganismXenia umbellata
ReferenceDuh,J.Nat.Prod.,65,(2002),1882