input word = C00022669

Metabolite InformationStructural formula
Name 3beta-Hydroxy-5alpha-Hydroperoxycostic acid methyl ester
Formula C16H24O5
Mw 296.16237388
CAS RN 112823-82-2
C_ID C00022669 ,
InChIKey HYYDXRPFQYGMRO-FFQMJFCGNA-N
InChICode InChI=1S/C16H24O5/c1-10(14(18)20-4)12-5-7-15(3)8-6-13(17)11(2)16(15,9-12)21-19/h12-13,17,19H,1-2,5-9H2,3-4H3/t12-,13+,15+,16-/m1/s1
SMILES C1[C@@H](C(=C)[C@]2([C@](C1)(CC[C@H](C2)C(=C)C(=O)OC)C)OO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEriocephalus pauperrimus Ref.
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