input word = C00023187

Metabolite InformationStructural formula
Name Eupalinilide J
Formula C22H28O10
Mw 452.16824712
CAS RN 757202-29-2
C_ID C00023187 ,
InChIKey XXDDPYGIIXZQBL-IELATAQTNA-N
InChICode InChI=1S/C22H28O10/c1-9(5-6-23)19(26)30-12-7-22(28,8-24)15-14(16-13(12)10(2)20(27)31-16)21(4)18(32-21)17(15)29-11(3)25/h5,12-18,23-24,28H,2,6-8H2,1,3-4H3/b9-5+/t12-,13-,14+,15+,16-,17+,18-,21+,22+/m1/s1
SMILES [C@@]1([C@H]2[C@@H]([C@H]3[C@@H]([C@@H](C1)OC(=O)/C(=C/CO)/C)C(=C)C(=O)O3)[C@]1([C@@H]([C@H]2OC(=O)C)O1)C)(CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium lindleyanum Ref.
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OrganismEupatorium lindleyanum
ReferenceHuo,J. Nat. Prod.,67,(2004),1470