input word = C00022404

Metabolite InformationStructural formula
Name 2-Epimethylbutanoyl gutespinolide
Formula C25H34O5
Mw 414.2406242
CAS RN
C_ID C00022404 ,
InChIKey ZFDAAVKPAWSDTE-UDYLHBKTNA-N
InChICode InChI=1S/C25H34O5/c1-6-15(2)22(26)30-20-12-17-18(25(5)10-7-9-24(3,4)21(20)25)13-19(29-23(17)27)16-8-11-28-14-16/h8,11-12,14-15,18-21H,6-7,9-10,13H2,1-5H3/t15-,18+,19+,20-,21+,25-/m1/s1
SMILES CCC(C)C(=O)O[C@H]1C=C2C(=O)O[C@H](c3ccoc3)C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGutierrezia espinosae Ref.
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