input word = C00022452

Metabolite InformationStructural formula
Name 6beta-Angeloyloxy-10alpha-hydroxy-10-desoxo-pyrrhopappolide
Formula C25H34O7
Mw 446.23045344
CAS RN 132550-29-9
C_ID C00022452 ,
InChIKey DJMIMWXAZOSZSO-VSFGZADHNA-N
InChICode InChI=1S/C25H34O7/c1-6-14(2)22(27)31-21(24(4)19(26)7-8-20-25(24,5)32-20)11-15(3)17-12-18(30-23(17)28)16-9-10-29-13-16/h6,9-10,13,15,17-21,26H,7-8,11-12H2,1-5H3/b14-6-/t15-,17-,18-,19+,20-,21-,24-,25-/m1/s1
SMILES C1[C@@H]2[C@]([C@]([C@H](C1)O)([C@@H](C[C@H]([C@@H]1C(=O)O[C@H](C1)c1ccoc1)C)OC(=O)/C(=C\C)/C)C)(O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeConyza pyrifolia Ref.
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