input word = C00036651

Metabolite InformationStructural formula
Name 7-Deoxyloganic acid
7-Deoxyloganate
Formula C16H24O9
Mw 360.14203237
CAS RN 22487-36-1
C_ID C00036651 ,
InChIKey DSXFHNSGLYXPNG-TVFGFDESNA-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 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
Plantae--Lonicera japonica Ref.
PlantaeApocynaceaeRauwolfia serpentina Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
PlantaeGentianaceaeCentaurium erythraea Ref.
PlantaeRubiaceaeUncaria tomentosa Ref.
--Sertia mussotii Ref.
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OrganismRauwolfia serpentina
ReferenceItoh,J.Nat.Prod.,68,(2005),848