input word = C00003263

Metabolite InformationStructural formula
Name Eupachlorin
Formula C20H25ClO7
Mw 412.12888086
CAS RN 20071-50-5
C_ID C00003263 ,
InChIKey VCAKAFVZYNRGKS-JSWXHYFPNA-N
InChICode InChI=1S/C20H25ClO7/c1-5-9(2)17(23)27-13-7-19(25,8-21)15-12(22)6-10(3)20(15,26)16-14(13)11(4)18(24)28-16/h5-6,12-16,22,25-26H,4,7-8H2,1-3H3/b9-5-/t12-,13+,14+,15-,16-,19-,20+/m0/s1
SMILES [C@@H]12[C@@]([C@@H]3[C@@H]([C@@H](C[C@]1(O)CCl)OC(=O)/C(=C\C)/C)C(=C)C(=O)O3)(C(=C[C@@H]2O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium rotundifolium Ref.
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