input word = C00022671

Metabolite InformationStructural formula
Name 3beta-Angeloyloxy-5alpha-hydroperoxycostic acid methyl ester
Formula C21H30O6
Mw 378.20423869
CAS RN 112924-82-0
C_ID C00022671 ,
InChIKey UOVOQTMUTPAZMZ-CUYNPVSSNA-N
InChICode InChI=1S/C21H30O6/c1-7-13(2)18(22)26-17-9-11-20(5)10-8-16(14(3)19(23)25-6)12-21(20,27-24)15(17)4/h7,16-17,24H,3-4,8-12H2,1-2,5-6H3/b13-7-/t16-,17+,20+,21-/m1/s1
SMILES C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CC[C@H](OC(=O)/C(C)=CC)C(=C)[C@]2(OO)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEriocephalus pauperrimus Ref.
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