input word = C00045161

Metabolite InformationStructural formula
Name 16-O-Acetylcoleon C
Formula C22H28O7
Mw 404.18350325
CAS RN 66584-96-1
C_ID C00045161 ,
InChIKey ZICYNZADARYFDP-PBTSXOFPNA-N
InChICode InChI=1S/C22H28O7/c1-10(9-29-11(2)23)12-15(24)13-14(18(27)16(12)25)22(5)8-6-7-21(3,4)20(22)19(28)17(13)26/h10,24-25,27-28H,6-9H2,1-5H3/t10-,22+/m0/s1
SMILES C1CC(C2=C(C(=O)c3c([C@]2(C1)C)c(c(c(c3O)[C@H](COC(=O)C)C)O)O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLamiaceaeColeus xanthanthus Ref.
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OrganismColeus xanthanthus
ReferenceMei,J.Nat.Prod.,65,(2002),634