input word = C00020439

Metabolite InformationStructural formula
Name Eupachifolin D
Formula C22H27ClO8
Mw 454.13944555
CAS RN 72947-97-8
C_ID C00020439 ,
InChIKey ROLUXMBDEQQZQJ-WWVUNCGLNA-N
InChICode InChI=1S/C22H27ClO8/c1-10(5-6-24)20(26)30-15-8-22(28,9-23)18-14(29-13(4)25)7-11(2)16(18)19-17(15)12(3)21(27)31-19/h5,7,14-19,24,28H,3,6,8-9H2,1-2,4H3/b10-5+/t14-,15+,16-,17-,18+,19-,22-/m0/s1
SMILES C1=C([C@H]2[C@@H]([C@H]1OC(=O)C)[C@@](C[C@H]([C@H]1[C@H]2OC(=O)C1=C)OC(=O)/C(=C/CO)/C)(O)CCl)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium chinense Ref.
PlantaeAsteraceaeEupatorium lindleyanum Ref.
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