input word = C00020501

Metabolite InformationStructural formula
Name Eupachifolin B
Formula C22H26O8
Mw 418.16276781
CAS RN 72947-95-6
C_ID C00020501 ,
InChIKey VNLQAVAJZIGXMH-MDAQZQOXNA-N
InChICode InChI=1S/C22H26O8/c1-10(5-6-23)20(25)29-15-8-22(9-27-22)18-14(28-13(4)24)7-11(2)16(18)19-17(15)12(3)21(26)30-19/h5,7,14-19,23H,3,6,8-9H2,1-2,4H3/b10-5+/t14-,15+,16-,17+,18+,19+,22-/m0/s1
SMILES C1(=O)C(=C)[C@H]2[C@H](O1)[C@@H]1[C@H]([C@]3(C[C@H]2OC(=O)/C(=C/CO)/C)CO3)[C@H](C=C1C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium chinense Ref.
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OrganismEupatorium chinense
ReferenceIto,Chem. Lett.,8,(1979),1473