input word = C00006775

Metabolite InformationStructural formula
Name Monodemalonylsalvianin
Formula C39H39O21
Mw 843.19838331
CAS RN 128508-43-0
C_ID C00006775 ,
InChIKey HWGACSBPJIKSNP-NZGPRJMWNA-O
InChICode InChI=1S/C39H38O21/c40-18-5-3-17(4-6-18)37-25(58-39-36(53)34(51)31(48)26(60-39)14-54-29(46)8-2-16-1-7-21(42)22(43)9-16)12-20-23(56-37)10-19(41)11-24(20)57-38-35(52)33(50)32(49)27(59-38)15-55-30(47)13-28(44)45/h1-12,26-27,31-36,38-39,48-53H,13-15H2,(H4-,40,41,42,43,44,45,46)/p+1/t26-,27-,31-,32-,33+,34-,35-,36+,38-,39-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(c(c1)O)O)O)O)O)c1ccc(cc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeHyacinthus orientalis Ref.
PlantaeLabiataeHyptis eriocephala Ref.
PlantaeLabiataeSalvia coccinea Ref.
PlantaeLabiataeSalvia greggii Ref.
PlantaeLabiataeSalvia splendens Ref.
zoom in



OrganismHyacinthus orientalis
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

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

Saito,Phytochem.,31,(1992),3009