input word = C00057549

Metabolite InformationStructural formula
Name Raphanusol B
Formula C17H22O10
Mw 386.12129692
CAS RN 78185-48-5
C_ID C00057549
InChIKey XRKBRPFTFKKHEF-DGDBGZAXSA-N
InChICode InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1
SMILES O[C@H]1[C@H](OC(/C=C/C2=CC(OC)=C(O)C(OC)=C2)=O)O[C@H](CO)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaePolygonaceaeRheum rhaponticum Ref.
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OrganismBrassica oleracea
ReferenceBirkofer, L. et al., Naturwissenschaften, 1960, 47, 469-470 (isol, synth, Feruloylglucose)