input word = C00006318

Metabolite InformationStructural formula
Name Marginatoside
Formula C33H40O20
Mw 756.21129372
CAS RN 66761-06-6
C_ID C00006318 ,
InChIKey SENLEPNWTIXIKP-LVZHOEHPNA-N
InChICode InChI=1S/C33H40O20/c34-7-16-21(39)25(43)28(46)32(52-16)49-9-18-23(41)26(44)29(47)33(53-18)48-8-17-22(40)24(42)27(45)31(51-17)20-13(37)5-12(36)19-14(38)6-15(50-30(19)20)10-1-3-11(35)4-2-10/h1-6,16-18,21-29,31-37,39-47H,7-9H2/t16-,17+,18-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31+,32-,33-/m1/s1
SMILES c1(cc(c2c(c1[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)oc(cc2=O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePiperaceaePiper marginatum Ref.
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OrganismPiper marginatum
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 549,C-glycosylflavones

Tillequin,Planta Med.,33,(1978),46