input word = C00022403

Metabolite InformationStructural formula
Name Angeloylgutespinolide
Formula C25H32O5
Mw 412.22497413
CAS RN 126771-05-9
C_ID C00022403 ,
InChIKey KNVFODWKKUZNMG-JGJZRVSYNA-N
InChICode InChI=1S/C25H32O5/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/h6,8,11-12,14,18-21H,7,9-10,13H2,1-5H3/b15-6-/t18-,19+,20+,21-,25+/m0/s1
SMILES C1CC([C@H]2[C@](C1)([C@@H]1C(=C[C@H]2OC(=O)/C(=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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