input word = C00006381

Metabolite InformationStructural formula
Name Isoschaftoside
Apigenin 6-C-alpha-L-arabinopyranoside-8-C-beta-D-glucopyranoside
Isoshaftoside
Formula C26H28O14
Mw 564.14790561
CAS RN 52012-29-0
C_ID C00006381 ,
InChIKey OVMFOVNOXASTPA-WCGZTJJSNA-N
InChICode InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22-,23+,25-,26-/m0/s1
SMILES c1(c(c(c2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)oc(cc2=O)c1ccc(cc1)O)O)[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraceaeColocasia esculenta Ref.
PlantaeAraceaeColocasia escultenta Ref.
PlantaeAsteraceaeArtemisia consanguineum Ref.
PlantaeAsteraceaeArtemisia heterophyllum Ref.
PlantaeAsteraceaeArtemisia spp. Ref.
PlantaeAsteraceaeBaccharis gaudichaudiana DC Ref.
PlantaeAsteraceaeCatananche caerulea Ref.
PlantaeAsteraceaeFlourensia cernua Ref.
PlantaeCaryophyllaceaeStellaria media Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeGlycyrrhiza inflata Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
PlantaeFabaceaeLespedeza capitata Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeLabiataeScutellaria baicalensis Ref.
PlantaePoaceaeArrhenatherum spp. Ref.
PlantaePoaceaeCymbopogon citratus Ref.
PlantaeRosaceaeCrataegus monogyna L. Ref.
PlantaeRosaceaeCydonia oblonga Ref.
PlantaeSolanaceaeCapsicum annum L. Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
PlantaeTheaceaeCamellia sinensis (L.) O.KUNTZE Ref.
PlantaeViolaceaeViola yedoensis Ref.
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OrganismCydonia oblonga
ReferenceBiol,M.C.et al.,C.R.Seances Acad.Sci.,Ser.C,279,(1974),409