input word = C00006819

Metabolite InformationStructural formula
Name Perillanin
Cyanidin 3-(6-p-coumaroylglucoside)-5-glucoside
Formula C36H37O18+
Mw 757.19798938
CAS RN 152885-69-3
C_ID C00006819 ,
InChIKey YPXWWSJGANMFFQ-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)16-4-7-20(40)21(41)9-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-3-15-1-5-17(38)6-2-15/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+/m0/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(cc1)O)O)O)O)c1ccc(c(c1)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeClinopodium spp. Ref.
PlantaeLabiataeLamium grandiflorum Ref.
PlantaeLabiataePerilla frutescens Ref.
PlantaeLabiataePerilla nankinensis Ref.
PlantaeLabiataePhlomis tuberosa Ref.
PlantaeLabiataeSalvia leucantha Ref.
PlantaeLabiataeSatureja fruticosa Ref.
PlantaeLabiataeStachys macrantha Ref.
PlantaeLabiataeStachys officinalis Ref.
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