input word = C00023189

Metabolite InformationStructural formula
Name 3-Deacetyleupalinin A
Formula C20H26O7
Mw 378.16785319
CAS RN 72948-04-0
C_ID C00023189 ,
InChIKey GVAUAUADYIZTTD-XQYRREMUNA-N
InChICode InChI=1S/C20H26O7/c1-5-12(9-21)19(24)26-15-8-20(4)16(27-20)7-13(22)10(2)6-14-17(15)11(3)18(23)25-14/h5-6,13-17,21-22H,3,7-9H2,1-2,4H3/b10-6-,12-5+/t13-,14+,15+,16-,17-,20+/m0/s1
SMILES [C@@]12([C@H](C[C@@H](/C(=C\[C@@H]3[C@@H]([C@@H](C1)OC(=O)/C(=C/C)/CO)C(=C)C(=O)O3)/C)O)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium lindleyanum Ref.
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