input word = C00003265

Metabolite InformationStructural formula
Name Eupachloroxin
Formula C20H25ClO8
Mw 428.12379549
CAS RN 20071-52-7
C_ID C00003265 ,
InChIKey ZKXZLEVGQXDZEP-NJUVHAFSNA-N
InChICode InChI=1S/C20H25ClO8/c1-5-8(2)16(23)27-10-6-19(25,7-21)13-12(22)15-18(4,29-15)20(13,26)14-11(10)9(3)17(24)28-14/h5,10-15,22,25-26H,3,6-7H2,1-2,4H3/b8-5-/t10-,11-,12+,13+,14+,15-,18-,19+,20-/m1/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@]1([C@@H]([C@H]2O)O1)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium rotundifolium Ref.
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OrganismEupatorium rotundifolium
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51