input word = C00021569

Metabolite InformationStructural formula
Name Botryaloic acid acetate
Formula C17H26O6
Mw 326.17293856
CAS RN 75207-33-9
C_ID C00021569 ,
InChIKey OGANGEPKFAUGDC-HRMPUFMHNA-N
InChICode InChI=1S/C17H26O6/c1-9-6-12(23-10(2)19)13-15(3,4)8-16(5,14(20)21)17(13,22)11(9)7-18/h7,9,11-13,22H,6,8H2,1-5H3,(H,20,21)/t9-,11+,12+,13+,16-,17-/m1/s1
SMILES [C@H]1(C[C@@H]([C@@H]2[C@]([C@H]1C=O)([C@@](CC2(C)C)(C)C(=O)O)O)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiSclerotiniaceaeBotryotinia fuckeliana Ref.
--Botrytis cinerea Ref.
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