input word = C00030504

Metabolite InformationStructural formula
Name Hypochoeroside A
(+)-Hypochoeroside A
Formula C21H32O9
Mw 428.20463262
CAS RN 123693-85-6
C_ID C00030504 ,
InChIKey CPKWYFUGBHLPGR-APXACOEDNA-N
InChICode InChI=1S/C21H32O9/c1-9-4-5-12(23)10(2)7-14-16(11(3)20(27)28-14)13(6-9)29-21-19(26)18(25)17(24)15(8-22)30-21/h4,7,11-19,21-26H,5-6,8H2,1-3H3/b9-4-,10-7+/t11-,12-,13+,14-,15+,16+,17+,18-,19+,21-/m1/s1
SMILES C1/C=C(\C[C@@H]([C@H]2[C@@H](/C=C(\[C@@H]1O)/C)OC(=O)[C@@H]2C)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium endivia Ref.
PlantaeAsteraceaeHypochaeris radicata L. Ref.
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