input word = C00007789

Metabolite InformationStructural formula
Name 4-(4'-O-Acetyl-alpha-L-rhamnopyranosyloxyl)benzyl glucosinolate
Formula C22H31NO15S2
Mw 613.11351079
CAS RN 549503-17-5
C_ID C00007789 ,
InChIKey GYVDCHYBTDOMRS-FPMARWEENA-N
InChICode InChI=1S/C22H31NO15S2/c1-9-20(35-10(2)25)17(28)18(29)21(34-9)36-12-5-3-11(4-6-12)7-14(23-38-40(31,32)33)39-22-19(30)16(27)15(26)13(8-24)37-22/h3-6,9,13,15-22,24,26-30H,7-8H2,1-2H3,(H,31,32,33)/b23-14-/t9-,13-,15+,16+,17+,18-,19+,20-,21-,22+/m0/s1
SMILES O[C@H]1[C@H]([C@H]([C@H](O[C@H]1CO)S/C(=N\OS(=O)(=O)O)/Cc1ccc(cc1)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)OC(=O)C)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMoringaceaeMoringa oleifera Ref.
PlantaeMoringaceaeMoringa peregrina Ref.
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