input word = C00006773

Metabolite InformationStructural formula
Name Pelargonidin 3-(6''-p-coumarylglucoside)-5-(4'''-malonylglucoside)
Formula C39H39O20
Mw 827.20346869
CAS RN 167774-89-2
C_ID C00006773 ,
InChIKey MDEOANVPTRUJEP-UDNTZXQXNA-O
InChICode InChI=1S/C39H38O20/c40-15-26-37(59-30(47)14-28(44)45)33(50)35(52)39(57-26)55-24-12-21(43)11-23-22(24)13-25(36(54-23)18-4-8-20(42)9-5-18)56-38-34(51)32(49)31(48)27(58-38)16-53-29(46)10-3-17-1-6-19(41)7-2-17/h1-13,26-27,31-35,37-40,48-52H,14-16H2,(H3-,41,42,43,44,45,46)/p+1/t26-,27+,31-,32+,33-,34+,35-,37-,38-,39-/m1/s1
SMILES O=C(O)CC(=O)O[C@@H]1C(CO)O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)cc4)c(O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)C(O)C4O)cc23)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeHyacinthus orientalis Ref.
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OrganismHyacinthus orientalis
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Hosokawa,Phytochem.,39,(1995),1437