input word = C00010690

Metabolite InformationStructural formula
Name Barlerin
(-)-Barlerin
8-O-Acetylshanzhiside methyl ester
Formula C19H28O12
Mw 448.15807636
CAS RN 57420-46-9
C_ID C00010690 ,
InChIKey ARFRZOLTIRQFCI-ACPGVIJJNA-N
InChICode InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10-,11+,12-,13-,14+,15+,17+,18-,19+/m1/s1
SMILES [C@@H]12[C@@H]([C@](C[C@H]1O)(OC(=O)C)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.
PlantaeAcanthaceaeBarleria prionitis Ref.
PlantaeLabiataeEremostachys glabra Ref.
PlantaeLabiataeLamium garganicum Ref.
PlantaeLabiataePhlomis rigida Ref.
PlantaeLabiataePhlomis spinidens Ref.
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OrganismBarleria prionitis
ReferenceInouye,Tatrahedron Lett.,(1970),3581

Takeda,Phytochem.,16,(1977),1401

Achenbach,Tetrahedron Lett.,(1980),3677

Damtoft,Tetrahedron Lett.,23,(1982),4155

Tanaka,Chem.Pharm.Bull.,31,(1983),780

Byrne,Aust.J.Chem.,40,(1987),785

Taneja,Tetrahedron Lett.,(1975),1995