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=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=CC)C[C@](O)(CCl)[C@@H]1[C@H](O)C=C(C)[C@]21O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium rotundifolium Ref.
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