input word = C00003266

Metabolite InformationStructural formula
Name Eupacunin
Formula C22H28O7
Mw 404.18350325
CAS RN 33854-15-8
C_ID C00003266 ,
InChIKey LVPCBECJXWCROK-GJPLGXEJNA-N
InChICode InChI=1S/C22H28O7/c1-7-11(2)21(25)28-18-8-12(3)16(24)10-17(27-15(6)23)13(4)9-19-20(18)14(5)22(26)29-19/h7-9,16-20,24H,5,10H2,1-4,6H3/b11-7-,12-8-,13-9-/t16-,17-,18-,19-,20-/m0/s1
SMILES [C@H]12/C=C(\[C@H](C[C@@H](/C(=C\[C@@H]([C@@H]1C(=C)C(=O)O2)OC(=O)/C(=C\C)/C)/C)O)OC(=O)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium cuneifolium Ref.
PlantaeAsteraceaeEupatorium lancifolium Ref.
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