input word = C00020468

Metabolite InformationStructural formula
Name Ixerin E
Formula C21H32O9
Mw 428.20463262
CAS RN 93236-45-4
C_ID C00020468 ,
InChIKey IMDGPABUKQYVEL-KNFBZUQKNA-N
InChICode InChI=1S/C21H32O9/c1-8-10-4-5-21(3,27)11-6-12(9(2)14(11)18(10)30-19(8)26)28-20-17(25)16(24)15(23)13(7-22)29-20/h8,10-18,20,22-25,27H,2,4-7H2,1,3H3/t8-,10-,11+,12-,13+,14-,15+,16-,17+,18-,20+,21+/m0/s1
SMILES [C@H]1(C(=C)[C@H]2[C@@H](C1)[C@](CC[C@@H]1[C@@H]2OC(=O)[C@H]1C)(C)O)O[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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