input word = C00006885

Metabolite InformationStructural formula
Name Bisdemalonylsalviadelphin
Formula C36H37O20
Mw 789.18781863
CAS RN 128508-47-4
C_ID C00006885 ,
InChIKey ZTJRGVZWJAJAER-NPJIBHEINA-O
InChICode InChI=1S/C36H36O20/c37-11-24-28(45)30(47)32(49)35(55-24)53-22-9-15(38)8-21-16(22)10-23(34(52-21)14-6-19(41)27(44)20(42)7-14)54-36-33(50)31(48)29(46)25(56-36)12-51-26(43)4-2-13-1-3-17(39)18(40)5-13/h1-10,24-25,28-33,35-37,45-50H,11-12H2,(H5-,38,39,40,41,42,43,44)/p+1/t24-,25-,28-,29-,30+,31-,32-,33-,35-,36-/m1/s1
SMILES O=C(/C=C/c1ccc(O)c(O)c1)OCC1O[C@@H](Oc2cc3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia splendens Ref.
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OrganismSalvia splendens
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Kondo,Tetrahedron Lett.,30,(1989),6729