input word = C00022663

Metabolite InformationStructural formula
Name 8beta-Acetoxy-3beta-angeloyloxy-isocostic acid methyl ester
Formula C23H32O6
Mw 404.21988875
CAS RN 112823-53-7
C_ID C00022663 ,
InChIKey ZLPUSFMBNGFJFT-VVOHATJTNA-N
InChICode InChI=1S/C23H32O6/c1-8-13(2)21(25)29-19-9-10-23(6)12-20(28-16(5)24)17(11-18(23)15(19)4)14(3)22(26)27-7/h8,17,19-20H,3,9-12H2,1-2,4-7H3/b13-8-/t17-,19+,20-,23-/m1/s1
SMILES C1[C@@H](C(=C2[C@](C1)(C[C@H]([C@H](C2)C(=C)C(=O)OC)OC(=O)C)C)C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEriocephalus pauperrimus Ref.
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