input word = C00031636

Metabolite InformationStructural formula
Name Breyniaionoside B
(-)-Breyniaionoside B
Formula C19H34O9
Mw 406.22028269
CAS RN 823182-41-8
C_ID C00031636 ,
InChIKey MOCRJZJERZYGCF-MXTVITCHNA-N
InChICode InChI=1S/C19H34O9/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/h4-5,10-17,20-26H,6-9H2,1-3H3/b5-4+/t10-,11+,12+,13-,14-,15+,16-,17-,19-/m1/s1
SMILES C1[C@@H](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)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaeBreynia officinalis Ref.
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