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@H]12[C@H](/C=C(/[C@H](C[C@@H]3[C@@](C[C@H]1OC(=O)/C(=C/C)/C)(O3)C)O)\COC(=O)C)OC(=O)C2=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium kiirunense Ref.
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