input word = C00041267

Metabolite InformationStructural formula
Name 3-Acetyl-14,15-epoxy-xeniolide H
Formula C22H30O6
Mw 390.20423869
CAS RN 871483-41-9
C_ID C00041267 ,
InChIKey PTNNKASIHILQBL-PDPVEFEFNA-N
InChICode InChI=1S/C22H30O6/c1-13-6-7-17-21(5,27-17)10-8-15-18(13)19(24)28-22(15,12-25-14(2)23)11-9-16-20(3,4)26-16/h9,11,15-18H,1,6-8,10,12H2,2-5H3/b11-9+/t15-,16+,17-,18-,21-,22+/m0/s1
SMILES C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C(=O)O[C@@]2(/C=C/C1OC1(C)C)COC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePortulacaceae/XeniidaeXenia umbellata Ref.
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