input word = C00033946

Metabolite InformationStructural formula
Name Hypochoeroside I
Formula C21H28O9
Mw 424.17333249
CAS RN 123693-93-6
C_ID C00033946 ,
InChIKey YAUSSXDIFZWSLR-AIRMRGENNA-N
InChICode InChI=1S/C21H28O9/c1-8-3-4-11-9(2)20(27)30-19(11)15-10(5-12(23)14(8)15)7-28-21-18(26)17(25)16(24)13(6-22)29-21/h5,8-9,11,13-14,16-18,21-22,24-26H,3-4,6-7H2,1-2H3/t8-,9+,11+,13-,14-,16-,17+,18-,21+/m1/s1
SMILES CC1CC[C@@H]2C(=C3C(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC(=O)C31)OC(=O)[C@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHypochaeris radicata L. Ref.
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OrganismHypochaeris radicata L.
ReferenceZidorn,Phytochem.,69,(2008),2270