input word = C00020507

Metabolite InformationStructural formula
Name Crepiside E
Formula C21H28O9
Mw 424.17333249
CAS RN 100228-50-0
C_ID C00020507 ,
InChIKey XNFZJASXPNFCQW-UKVYIHSJNA-N
InChICode InChI=1S/C21H28O9/c1-7-4-11(23)15-9(3)20(27)30-19(15)14-8(2)12(5-10(7)14)28-21-18(26)17(25)16(24)13(6-22)29-21/h10-19,21-26H,1-6H2/t10-,11-,12-,13+,14-,15+,16-,17-,18+,19+,21+/m0/s1
SMILES [C@H]1(C(=C)[C@H]2[C@@H](C1)C(=C)C[C@@H]([C@@H]1[C@@H]2OC(=O)C1=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
PlantaeAsteraceaeCrepis japonica Ref.
PlantaeAsteraceaeIxeris dentata Nakai Ref.
PlantaeAsteraceaeLapsana communis L. Ref.
PlantaeAsteraceaeNabalus acerifolius Maxim. Ref.
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