input word = C00012220

Metabolite InformationStructural formula
Name (-)-Ixerin J
Ixerin J
Formula C21H30O9
Mw 426.18898256
CAS RN 94356-09-9
C_ID C00012220 ,
InChIKey GCQQNDRUEXZFPE-FOIRGKBENA-N
InChICode InChI=1S/C21H30O9/c1-11-14-6-5-12(8-22)3-2-4-13(7-15(14)29-20(11)27)10-28-21-19(26)18(25)17(24)16(9-23)30-21/h3,7-8,11,14-19,21,23-26H,2,4-6,9-10H2,1H3/b12-3+,13-7+/t11-,14-,15-,16+,17+,18-,19-,21+/m0/s1
SMILES CC1C(=O)OC2/C=C(CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)CC/C=C(/C=O)CCC21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris tamagawaensis Ref.
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