input word = C00034914

Metabolite InformationStructural formula
Name Verbascoside A
(-)-Verbascoside A
Formula C31H40O16
Mw 668.23163523
CAS RN 84062-32-8
C_ID C00034914 ,
InChIKey RTCISXKUWWQSRF-CFOQIUDMNA-N
InChICode InChI=1S/C31H40O16/c1-13-25(44-18(34)8-5-14-3-6-15(40-2)7-4-14)22(37)24(39)29(42-13)45-26-16-9-10-41-28(19(16)31(12-33)27(26)47-31)46-30-23(38)21(36)20(35)17(11-32)43-30/h3-10,13,16-17,19-30,32-33,35-39H,11-12H2,1-2H3/b8-5+/t13-,16-,17+,19+,20-,21-,22-,23+,24+,25-,26-,27-,28-,29-,30-,31+/m0/s1
SMILES C1=C[C@H]2[C@H]([C@@H](O1)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@]1([C@H]([C@H]2O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)OC(=O)/C=C/c2ccc(cc2)OC)O)O)O1)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeGmelina arborea Ref.
PlantaeScrophulariaceaeCamptoloma lyperiiflorum (Vatke) Hillard Ref.
PlantaeScrophulariaceaeScrophularia nodosa L. Ref.
PlantaeScrophulariaceaeVerbascum georgicum Ref.
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