input word = C00056574

Metabolite InformationStructural formula
Name 8-Hexanoylneosolaniol
Formula C25H36O9
Mw 480.23593275
CAS RN 118143-01-4
C_ID C00056574
InChIKey NTQOBLPQKXJXCZ-BFAIXHJHSA-N
InChICode InChI=1S/C25H36O9/c1-6-7-8-9-19(28)33-17-11-24(12-30-15(3)26)18(10-14(17)2)34-22-20(29)21(32-16(4)27)23(24,5)25(22)13-31-25/h10,17-18,20-22,29H,6-9,11-13H2,1-5H3/t17-,18+,20+,21+,22+,23+,24+,25?/m0/s1
SMILES CCCCCC(=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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