input word = C00006883

Metabolite InformationStructural formula
Name Delphinidin 3-(6''-malonylglucoside)-5-malonylglucoside
Formula C33H35O23
Mw 799.15691243
CAS RN 104078-09-3
C_ID C00006883 ,
InChIKey YUUVWWMPUDXXPV-GGDWQJBYNA-O
InChICode InChI=1S/C33H34O23/c34-11-3-15-12(16(4-11)53-32-29(48)27(46)25(44)18(55-32)8-50-22(41)6-20(37)38)5-17(31(52-15)10-1-13(35)24(43)14(36)2-10)54-33-30(49)28(47)26(45)19(56-33)9-51-23(42)7-21(39)40/h1-5,18-19,25-30,32-33,44-49H,6-9H2,(H5-,34,35,36,37,38,39,40,43)/p+1/t18-,19+,25+,26+,27-,28-,29+,30-,32+,33+/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)CC(=O)O)O)O)O)c1cc(c(c(c1)O)O)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
PlantaeAsteraceaeCichorium intybus Ref.
--Chicorium intybus Ref.
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OrganismCichorium intybus
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Takeda,Phytochem.,25,(1986),1337