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 C1CC([C@H]2[C@](C1)([C@@H]1C(=C[C@H]2OC(=O)[C@@H](CC)C)C(=O)O[C@@H](C1)c1cocc1)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGutierrezia espinosae Ref.
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