input word = C00006177

Metabolite InformationStructural formula
Name Schaftoside
Shaftoside
Formula C26H28O14
Mw 564.14790561
CAS RN 51938-32-0
C_ID C00006177 ,
InChIKey MMDUKUSNQNWVET-WCGZTJJSNA-N
InChICode InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13-,17-,18-,21+,22+,23-,25-,26+/m1/s1
SMILES c1(c(c(c2c(c1[C@@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O)oc(cc2=O)c1ccc(cc1)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAcanthus ebracteatus Ref.
PlantaeAcanthaceaeClinacanthus nutans Ref.
PlantaeApiaceaeAstrantia major Ref.
PlantaeAraceaeArisaema consanguineum Ref.
PlantaeAraceaeArisaema heterophyllum Ref.
PlantaeAraceaeColocasia esculenta Ref.
PlantaeAraceaeColocasia escultenta Ref.
PlantaeAsteraceaeCatananche caerulea Ref.
PlantaeAsteraceaeCentaurea hierapolitana Ref.
PlantaeAsteraceaeCentaurea melitensis L. Ref.
PlantaeAsteraceaeCentaurea solstitialis Ref.
PlantaeCaryophyllaceaeSilene schafta Ref.
PlantaeCaryophyllaceaeStellaria holostea Ref.
PlantaeCaryophyllaceaeStellaria media Ref.
PlantaeCaryophyllaceaeStellaria nemorum Ref.
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeGlycyrrhiza inflata Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
PlantaeFabaceaeLespedeza capitata Ref.
PlantaeLabiataeMeehania urticifolia Ref.
PlantaeLabiataeSalvia blepharophylla Ref.
PlantaeMetzgeriaceaeMetzgeria furcata Ref.
PlantaePoaceaeDactylis glomerata Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaeRosaceaeCrataegus monogyna L. Ref.
PlantaeRosaceaeCydonia oblonga Ref.
PlantaeSolanaceaeCapsicum annum L. Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
PlantaeViolaceaeViola yedoensis Ref.
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OrganismArisaema consanguineum
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Chen, Liu, et al., Determination of Effective Components in Traditional Chinese medicines, People's Medical Publishing House, Beijing, (2009)