input word = C00054163

Metabolite InformationStructural formula
Name 8-Butanoylneosolaniol
Formula C23H32O9
Mw 452.20463262
CAS RN 98813-18-4
C_ID C00054163
InChIKey QAZLVSRKBUTUHB-AGJQMISUSA-N
InChICode InChI=1S/C23H32O9/c1-6-7-17(26)31-15-9-22(10-28-13(3)24)16(8-12(15)2)32-20-18(27)19(30-14(4)25)21(22,5)23(20)11-29-23/h8,15-16,18-20,27H,6-7,9-11H2,1-5H3/t15-,16+,18+,19+,20+,21?,22+,23?/m0/s1
SMILES CCCC(=O)O[C@H]1C[C@@]2(COC(C)=O)[C@@H](C=C1C)O[C@@H]1[C@H](O)[C@@H](OC(C)=O)C2(C)C12CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium sporotrichioides Ref.
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