input word = C00013722

Metabolite InformationStructural formula
Name Lethedioside B
Tricetin 7,3',4',5'-trimethyl eter 5-xylosyl-(1->6)-glucoside
7-Methoxy-2-(3,4,5-trimethoxyphenyl)-5-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one
Formula C30H36O16
Mw 652.20033511
CAS RN 221289-32-3
C_ID C00013722 ,
InChIKey YCCFHELFYKTGSO-RIJNQWNDNA-N
InChICode InChI=1S/C30H36O16/c1-38-13-7-17-22(14(31)9-16(44-17)12-5-19(39-2)28(41-4)20(6-12)40-3)18(8-13)45-30-27(37)25(35)24(34)21(46-30)11-43-29-26(36)23(33)15(32)10-42-29/h5-9,15,21,23-27,29-30,32-37H,10-11H2,1-4H3/t15-,21-,23-,24-,25+,26-,27+,29-,30-/m1/s1
SMILES c1c(cc(c(c1OC)OC)OC)c1oc2c(c(=O)c1)c(cc(c2)OC)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeLethedon tannaensis Ref.
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OrganismLethedon tannaensis
ReferenceZahir,J.Nat.Prod.,62,(1999),241