input word = C00010687

Metabolite InformationStructural formula
Name Shanzhiside methyl ester
Formula C17H26O11
Mw 406.14751167
CAS RN 64421-28-9
C_ID C00010687 ,
InChIKey KKSYAZCUYVRKML-GTCKFZMANA-N
InChICode InChI=1S/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12+,13+,15+,16-,17+/m1/s1
SMILES [C@@H]12[C@@H]([C@](C[C@H]1O)(O)C)[C@@H](OC=C2C(=O)OC)O[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
PlantaeAcanthaceaeBarleria lupulina Ref.
PlantaeLabiataeLamium amplexicaule Ref.
PlantaeLabiataeLamium garganicum Ref.
PlantaeLabiataeLamium purpureum L. Ref.
PlantaeLabiataePhlomis rigida Ref.
PlantaeLabiataePhlomis spinidens Ref.
PlantaeLabiataeSalvia digitaloides Ref.
PlantaeOrobanchaceaePedicularis bracteosa Ref.
PlantaeOrobanchaceaePedicularis crenulata Ref.
PlantaeOrobanchaceaePedicularis groenlandica Ref.
PlantaeOrobanchaceaePedicularis muscicola Ref.
PlantaeOrobanchaceaePedicularis procera Ref.
PlantaeOrobanchaceaePedicularis racemosa Ref.
PlantaeRubiaceaeMussaenda parviflora Ref.
PlantaeRubiaceaeMussaenda shikokiana Ref.
PlantaeVerbenaceaeLippia alba Ref.
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OrganismPedicularis procera
ReferenceM. J. Schneider et al., Chem. Abs., (1996), 126, 183762.