input word = C00034894

Metabolite InformationStructural formula
Name Specioside
(-)-Specioside
Formula C24H28O12
Mw 508.15807636
CAS RN 72514-90-0
C_ID C00034894 ,
InChIKey SKNVKBJSSSJNCI-YRJOOGIRNA-N
InChICode InChI=1S/C24H28O12/c25-9-14-17(29)18(30)19(31)23(33-14)35-22-16-13(7-8-32-22)20(21-24(16,10-26)36-21)34-15(28)6-3-11-1-4-12(27)5-2-11/h1-8,13-14,16-23,25-27,29-31H,9-10H2/b6-3+/t13-,14+,16+,17+,18-,19+,20-,21-,22-,23-,24+/m0/s1
SMILES C1=C[C@H]2[C@H]([C@@H](O1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@@]1([C@H]([C@H]2OC(=O)/C=C/c2ccc(cc2)O)O1)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeCatalpa speciosa Ref.
PlantaeBignoniaceaeStereospermum cylindricum Ref.
PlantaeBignoniaceaeStereospermum personatum Ref.
PlantaePlantaginaceaePicrorhiza scrophulariiflora Ref.
PlantaeSimaroubaceaeAilanthus integrifolia Ref.
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OrganismAilanthus integrifolia
ReferenceK. Kosuge et al., Chem. Abs., (1994), 122, 128597.