input word = C00022401

Metabolite InformationStructural formula
Name 2-Methylpropanoyl gutespinolide
Formula C24H32O5
Mw 400.22497413
CAS RN 126771-04-8
C_ID C00022401 ,
InChIKey YICWDSWOFGXBBN-IVVUKIDSNA-N
InChICode InChI=1S/C24H32O5/c1-14(2)21(25)29-19-11-16-17(24(5)9-6-8-23(3,4)20(19)24)12-18(28-22(16)26)15-7-10-27-13-15/h7,10-11,13-14,17-20H,6,8-9,12H2,1-5H3/t17-,18+,19+,20-,24+/m0/s1
SMILES C1CC([C@H]2[C@](C1)([C@@H]1C(=C[C@H]2OC(=O)C(C)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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OrganismGutierrezia espinosae
ReferenceZdero,Phytochem.,29,(1990),567