input word = C00003268

Metabolite InformationStructural formula
Name Eupacunoxin
Formula C22H28O8
Mw 420.17841787
CAS RN 33853-88-2
C_ID C00003268 ,
InChIKey QGXSKKOWDFZPIV-YUMLLGBJNA-N
InChICode InChI=1S/C22H28O8/c1-10-7-18(29-21(26)22(6)13(4)30-22)19-12(3)20(25)28-17(19)8-11(2)16(9-15(10)24)27-14(5)23/h7-8,13,15-19,24H,3,9H2,1-2,4-6H3/b10-7-,11-8-/t13-,15-,16-,17-,18-,19-,22-/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@@]1([C@H](C)O1)C)/C)O)OC(=O)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium cuneifolium Ref.
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