input word = C00031635

Metabolite InformationStructural formula
Name Breyniaionoside A
(-)-Breyniaionoside A
Formula C19H32O9
Mw 404.20463262
CAS RN 823182-23-6
C_ID C00031635 ,
InChIKey JTIZGDFRGKUHKK-PQYXQUKMNA-N
InChICode InChI=1S/C19H32O9/c1-10-6-11(22)7-18(2,3)19(10,26)5-4-12(8-20)27-17-16(25)15(24)14(23)13(9-21)28-17/h4-5,10,12-17,20-21,23-26H,6-9H2,1-3H3/b5-4+/t10-,12+,13-,14-,15+,16-,17-,19-/m1/s1
SMILES C1C(=O)CC([C@]([C@@H]1C)(/C=C/[C@H](O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaeBreynia officinalis Ref.
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