input word = C00036663

Metabolite InformationStructural formula
Name 8-Epideoxyloganic acid
Epideoxyloganic acid
Formula C16H24O9
Mw 360.14203237
CAS RN 88668-99-9
C_ID C00036663 ,
InChIKey DSXFHNSGLYXPNG-KYAHAFDNNA-N
InChICode InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
SMILES O1C=C([C@@H]2[C@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@@H](CC2)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeIncarvillea delavayi Ref.
PlantaePlantaginaceaePlantago webbii Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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OrganismRehmannia glutinosa
ReferenceSun, P. et al., Int. J. Mol. Sci., 13, (2012), 13748-13763.