input word = C00033947

Metabolite InformationStructural formula
Name Hypochoeroside J
(-)-Hypochoeroside J
Formula C21H32O8
Mw 412.209718
CAS RN 123693-94-7
C_ID C00033947 ,
InChIKey ZBLQOEZPBPYJFU-AEABXEKCNA-N
InChICode InChI=1S/C21H32O8/c1-9-4-5-14(28-21-19(25)18(24)17(23)15(8-22)29-21)16-10(2)6-12(7-13(9)16)11(3)20(26)27/h10,12-19,21-25H,1,3-8H2,2H3,(H,26,27)/t10-,12-,13+,14-,15+,16-,17+,18-,19+,21-/m0/s1
SMILES [C@H]1(O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CCC(=C)[C@@H]2[C@@H]1[C@H](C[C@@H](C2)C(=C)C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHypochaeris radicata L. Ref.
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