input word = C00034563

Metabolite InformationStructural formula
Name Jionoside D
Formula C30H38O15
Mw 638.22107055
CAS RN 120406-34-0
C_ID C00034563 ,
InChIKey WKQLGHCWJNLUKK-KVEOLEFTNA-N
InChICode InChI=1S/C30H38O15/c1-14-23(36)24(37)25(38)30(42-14)45-28-26(39)29(41-10-9-16-4-7-20(40-2)19(34)12-16)43-21(13-31)27(28)44-22(35)8-5-15-3-6-17(32)18(33)11-15/h3-8,11-12,14,21,23-34,36-39H,9-10,13H2,1-2H3/b8-5+/t14-,21+,23-,24+,25+,26+,27+,28+,29+,30-/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)OCCc1ccc(c(c1)O)OC)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)OC(=O)/C=C/c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
PlantaeScrophulariaceaeScrophularia nodosa L. Ref.
--Pithecotenium crucigerum (L.) A.H Gentry Ref.
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