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 CC(=O)OC[C@H](C)c1c(O)c(O)c2c(c1O)C(=O)C(O)=C1C(C)(C)CCC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLamiaceaeColeus xanthanthus Ref.
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