input word = C00056890

Metabolite InformationStructural formula
Name 8-Pentanoylneosolaniol
Formula C24H34O9
Mw 466.22028269
CAS RN 116163-74-7
C_ID C00056890
InChIKey QXHICULSTMOREA-GOLADLMOSA-N
InChICode InChI=1S/C24H34O9/c1-6-7-8-18(27)32-16-10-23(11-29-14(3)25)17(9-13(16)2)33-21-19(28)20(31-15(4)26)22(23,5)24(21)12-30-24/h9,16-17,19-21,28H,6-8,10-12H2,1-5H3/t16-,17+,19+,20+,21+,22+,23+,24?/m0/s1
SMILES CCCCC(=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)[C@@]2(C)C12CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium sporotrichioides Ref.
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