input word = C00022667

Metabolite InformationStructural formula
Name 3beta-Angeloyloxy-4beta-hydroxy-delta5-costic aid methyl ester
Formula C21H30O5
Mw 362.20932407
CAS RN 112823-80-0
C_ID C00022667 ,
InChIKey ZCPRNEVHUGEDDK-ZEKRCHBZNA-N
InChICode InChI=1S/C21H30O5/c1-7-13(2)18(22)26-17-9-11-20(4)10-8-15(14(3)19(23)25-6)12-16(20)21(17,5)24/h7,12,15,17,24H,3,8-11H2,1-2,4-6H3/b13-7-/t15-,17+,20+,21-/m1/s1
SMILES C=C(C(=O)OC)[C@H]1C=C2[C@](C)(CC[C@H](OC(=O)/C(C)=CC)[C@]2(C)O)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEriocephalus pauperrimus Ref.
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