input word = C00037325

Metabolite InformationStructural formula
Name Isoconiferinoside
Formula C22H32O13
Mw 504.18429111
CAS RN 152686-86-7
C_ID C00037325 ,
InChIKey FMNBOEFXHLGJLZ-NSCUHMNNNA-N
InChICode InChI=1S/C22H32O13/c1-31-12-7-10(3-2-6-32-21-19(29)17(27)15(25)13(8-23)34-21)4-5-11(12)33-22-20(30)18(28)16(26)14(9-24)35-22/h2-5,7,13-30H,6,8-9H2,1H3/b3-2+/t13-,14+,15-,16+,17+,18+,19+,20+,21-,22+/m1/s1
SMILES c1c(cc(c(c1)O[C@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO)OC)/C=C/CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeCentranthus longiflorus ssp.longiflorus Ref.
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OrganismCentranthus longiflorus ssp.longiflorus
ReferenceKuruuzum-Uz,Phytochem.,61,(2002),937