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.
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OrganismSalvia greggii
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

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

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