input word = C00014800

Metabolite InformationStructural formula
Name Delphinidin 3-(6-p-coumaroylglucoside)-5-[6-(malonyl)-4-(rhamnosyl)glucoside)]
Formula C45H49O26
Mw 1005.25120674
CAS RN 444587-00-2
C_ID C00014800 ,
InChIKey WIYOLNLUBXVUBR-VFAFCSQGNA-O
InChICode InChI=1S/C45H48O26/c1-16-32(54)35(57)38(60)43(65-16)71-42-28(15-64-31(53)13-29(50)51)70-45(40(62)37(42)59)67-25-11-20(47)10-24-21(25)12-26(41(66-24)18-8-22(48)33(55)23(49)9-18)68-44-39(61)36(58)34(56)27(69-44)14-63-30(52)7-4-17-2-5-19(46)6-3-17/h2-12,16,27-28,32,34-40,42-45,54,56-62H,13-15H2,1H3,(H5-,46,47,48,49,50,51,52,55)/p+1/t16-,27-,28-,32+,34+,35-,36+,37-,38+,39-,40-,42+,43+,44-,45-/m1/s1
SMILES CC1O[C@@H](O[C@@H]2C(COC(=O)CC(=O)O)O[C@@H](Oc3cc(O)cc4[o+]c(-c5cc(O)c(O)c(O)c5)c(O[C@@H]5OC(COC(=O)/C=C/c6ccc(O)cc6)[C@@H](O)[C@H](O)C5O)cc34)C(O)[C@H]2O)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeMuscari armeniacum Ref.
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