input word = C00042052

Metabolite InformationStructural formula
Name 15-Acetoxyheliangin
Formula C22H28O8
Mw 420.17841787
CAS RN 857502-88-6
C_ID C00042052 ,
InChIKey IOURGKLXEVLPNY-XLULVPJUNA-N
InChICode InChI=1S/C22H28O8/c1-6-11(2)20(25)29-17-9-22(5)18(30-22)8-15(24)14(10-27-13(4)23)7-16-19(17)12(3)21(26)28-16/h6-7,15-19,24H,3,8-10H2,1-2,4-5H3/b11-6+,14-7+/t15-,16-,17+,18+,19-,22+/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(COC(C)=O)[C@@H](O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium kiirunense Ref.
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