input word = C00012084

Metabolite InformationStructural formula
Name (-)-Blumealactone A
Blumealactone A
Formula C20H28O6
Mw 364.18858863
CAS RN 111545-46-1
C_ID C00012084 ,
InChIKey ZMXFZZOCUKHAFO-NSNVNBDZNA-N
InChICode InChI=1S/C20H28O6/c1-6-10(2)18(22)25-16-13-12(4)19(23)24-15(13)14(21)11(3)8-7-9-20(5)17(16)26-20/h6,11,13-17,21H,4,7-9H2,1-3,5H3/b10-6-/t11-,13+,14-,15+,16-,17-,20-/m1/s1
SMILES [C@@H]1([C@H]([C@@H]2[C@@H]([C@H]([C@@H]3[C@@](CCC1)(O3)C)OC(=O)/C(=C\C)/C)C(=C)C(=O)O2)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBlumea balsamifera Ref.
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OrganismBlumea balsamifera
ReferenceFujimoto,Phytochem.,27,(1988),1109