input word = C00022666

Metabolite InformationStructural formula
Name 3beta-Angeloyloxyisocostic acid methyl ester
Formula C21H30O4
Mw 346.21440945
CAS RN 112823-79-7
C_ID C00022666 ,
InChIKey KQTJETBRNLVDJJ-YWRYNAGRNA-N
InChICode InChI=1S/C21H30O4/c1-7-13(2)19(22)25-18-9-11-21(5)10-8-16(12-17(21)15(18)4)14(3)20(23)24-6/h7,16,18H,3,8-12H2,1-2,4-6H3/b13-7-/t16-,18+,21+/m1/s1
SMILES C1[C@@H](C(=C2[C@](C1)(CC[C@H](C2)C(=C)C(=O)OC)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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