input word = C00010537

Metabolite InformationStructural formula
Name Deoxyloganic acid
Formula C16H24O9
Mw 360.14203237
CAS RN 86363-69-1
C_ID C00010537 ,
InChIKey DSXFHNSGLYXPNG-GLYNPNIXNA-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+/m0/s1
SMILES C[C@H]1CC[C@H]2C(C(=O)O)=CO[C@H](O[C@H]3OC(CO)[C@@H](O)C(O)[C@@H]3O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeNepeta cataria Ref.
PlantaeOleaceaePicconia excelsa (Aiton) DC. Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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OrganismRehmannia glutinosa
ReferenceSun, P. et al., Int. J. Mol. Sci., 13, (2012), 13748-13763.