input word = C00022399

Metabolite InformationStructural formula
Name Angeloylespinosanolide
Formula C25H34O6
Mw 430.23553882
CAS RN 126794-68-1
C_ID C00022399 ,
InChIKey QCMHMJHNLYAUIH-SXBXQJOCNA-N
InChICode InChI=1S/C25H34O6/c1-6-15(2)22(28)31-19-14-17(21(26)27)18(9-8-16-10-13-30-23(16)29)25(5)12-7-11-24(3,4)20(19)25/h6,10,14,18-20H,7-9,11-13H2,1-5H3,(H,26,27)/b15-6-/t18-,19+,20-,25+/m0/s1
SMILES C1=C([C@@H]([C@@]2([C@@H]([C@@H]1OC(=O)/C(=C\C)/C)C(CCC2)(C)C)C)CCC1=CCOC1=O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGutierrezia espinosae Ref.
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