input word = C00003077

Metabolite InformationStructural formula
Name Deoxyloganin
7-Deoxyloganin
Formula C17H26O9
Mw 374.15768243
CAS RN 26660-57-1
C_ID C00003077 ,
InChIKey KMHXLGLJTQHEIM-DTIPLLSBNA-N
InChICode InChI=1S/C17H26O9/c1-7-3-4-8-9(15(22)23-2)6-24-16(11(7)8)26-17-14(21)13(20)12(19)10(5-18)25-17/h6-8,10-14,16-21H,3-5H2,1-2H3/t7-,8+,10-,11+,12+,13-,14+,16-,17-/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@H]1CO)O[C@@H]1OC=C([C@@H]2[C@H]1[C@H](CC2)C)C(=O)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeVinca spp. Ref.
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera japonica Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
PlantaeLonganiaceaeStrychnos nux-vomica Ref.
PlantaeLonganiaceaeStrychnos spp. Ref.
PlantaeMenyanthaceaeMenyanthes spp. Ref.
--Sertia mussotii Ref.
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OrganismSertia mussotii
ReferenceLiu, Y. et al., Sci. Rep., 7, (2017), 43108.