input word = C00006772

Metabolite InformationStructural formula
Name Pelargonidin 3-(6''-p-coumarylglucoside)-5-(6'''-acetylglucoside)
Formula C38H39O18
Mw 783.21363945
CAS RN 168647-44-7
C_ID C00006772 ,
InChIKey NRMCGRZJALTCIN-HMXCXELUNA-O
InChICode InChI=1S/C38H38O18/c1-17(39)50-15-27-30(44)32(46)34(48)37(55-27)53-25-13-22(42)12-24-23(25)14-26(36(52-24)19-5-9-21(41)10-6-19)54-38-35(49)33(47)31(45)28(56-38)16-51-29(43)11-4-18-2-7-20(40)8-3-18/h2-14,27-28,30-35,37-38,44-49H,15-16H2,1H3,(H2-,40,41,42,43)/p+1/t27-,28-,30+,31+,32-,33+,34+,35-,37+,38+/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(cc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)COC(=O)C)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeHyacinthus orientalis Ref.
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