input word = C00003267

Metabolite InformationStructural formula
Name Eupacunolin
Formula C22H28O8
Mw 420.17841787
CAS RN 79491-59-1
C_ID C00003267 ,
InChIKey ZFUOPNBNUOUKMM-IWGFLWGTNA-N
InChICode InChI=1S/C22H28O8/c1-6-11(2)21(26)29-18-7-12(3)16(25)9-17(28-14(5)24)15(10-23)8-19-20(18)13(4)22(27)30-19/h6-8,16-20,23,25H,4,9-10H2,1-3,5H3/b11-6-,12-7-,15-8-/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)/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium cuneifolium Ref.
PlantaeAsteraceaeEupatorium lancifolium Ref.
zoom in