input word = C00033939

Metabolite InformationStructural formula
Name Hypochoeroside B
Formula C25H32O11
Mw 508.19446187
CAS RN 123693-86-7
C_ID C00033939 ,
InChIKey BOLVUKQTMQVTQI-WPQDXMDZNA-N
InChICode InChI=1S/C25H32O11/c1-9(2)23(31)34-14-5-10(3)16-13(27)6-12(18(16)22-17(14)11(4)24(32)36-22)8-33-25-21(30)20(29)19(28)15(7-26)35-25/h6,11,14-15,17-22,25-26,28-30H,1,5,7-8H2,2-4H3/t11-,14-,15+,17+,18-,19+,20-,21+,22+,25-/m0/s1
SMILES [C@H]12C(=C(C[C@@H]([C@@H]3[C@H]1OC(=O)[C@H]3C)OC(=O)C(=C)C)C)C(=O)C=C2CO[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
PlantaeAsteraceaeHypochaeris radicata L. Ref.
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