input word = C00033905

Metabolite InformationStructural formula
Name Hellebrigenin
3beta,5beta,14beta-Trihydroxy-19-oxo-bufa-20,22-dienolide 3-O-beta-D-glucopyranoside
Formula C24H32O6
Mw 416.21988875
CAS RN 465-90-7
C_ID C00033905 ,
InChIKey TVKPTWJPKVSGJB-AUCPALTMNA-N
InChICode InChI=1S/C24H32O6/c1-21-8-5-18-19(6-10-23(28)12-16(26)4-9-22(18,23)14-25)24(21,29)11-7-17(21)15-2-3-20(27)30-13-15/h2-3,13-14,16-19,26,28-29H,4-12H2,1H3/t16-,17+,18-,19+,21+,22-,23-,24-/m0/s1
SMILES C1[C@@H](C[C@@]2([C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)c1coc(=O)cc1)C)O)C=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeKalanchoe gracilis Ref.
PlantaeRanunculaceaeHelleborus caucasicus Ref.
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