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 CC(=O)O[C@H]1C[C@@H](C)[C@H](C=O)[C@@]2(O)[C@@H]1C(C)(C)C[C@]2(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiSclerotiniaceaeBotryotinia fuckeliana Ref.
--Botrytis cinerea Ref.
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