input word = C00012216

Metabolite InformationStructural formula
Name (-)-Ixerin B
Ixerin B
Formula C21H28O9
Mw 424.17333249
CAS RN 91486-97-4
C_ID C00012216 ,
InChIKey NYXRAMZXDCVANM-DBXBUWJZNA-N
InChICode InChI=1S/C21H28O9/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/h3,7-8,14-19,21,23-26H,1-2,4-6,9-10H2/b12-3+,13-7+/t14-,15-,16+,17+,18-,19+,21+/m0/s1
SMILES [C@@H]12[C@@H](OC(=O)C1=C)/C=C(\CC/C=C(\CC2)/C=O)/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris tamagawaensis Ref.
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