input word = C00006767

Metabolite InformationStructural formula
Name Bisdemalonylsalvianin
Formula C36H37O18
Mw 757.19798938
CAS RN 128508-44-1
C_ID C00006767 ,
InChIKey MLLMLJXCGLXOIJ-LUWSFKKHNA-O
InChICode InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-3-5-17(38)6-4-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,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-c2ccc(O)cc2)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeHyacinthus orientalis Ref.
PlantaeLabiataeSalvia splendens Ref.
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