input word = C00006818

Metabolite InformationStructural formula
Name Cyanidin 3,5-di-(6-malonylglucoside)
Formula C33H35O22
Mw 783.16199781
CAS RN
C_ID C00006818 ,
InChIKey JFTFPQIIDDVGKK-IAWLSJIENA-O
InChICode InChI=1S/C33H34O22/c34-12-4-16-13(17(5-12)52-32-29(47)27(45)25(43)19(54-32)9-49-23(41)7-21(37)38)6-18(31(51-16)11-1-2-14(35)15(36)3-11)53-33-30(48)28(46)26(44)20(55-33)10-50-24(42)8-22(39)40/h1-6,19-20,25-30,32-33,43-48H,7-10H2,(H4-,34,35,36,37,38,39,40)/p+1/t19-,20-,25-,26-,27+,28+,29-,30-,32-,33-/m1/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)c1ccc(c(c1)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
PlantaeLabiataeLamium garganicum Ref.
PlantaeLabiataeTeucrium webbianum Ref.
PlantaeLabiataeThymus doerfleri Ref.
PlantaeLabiataeThymus pannonicus Ref.
PlantaeLabiataeThymus praecox Ref.
PlantaeLabiataeThymus serphyllum Ref.
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OrganismThymus praecox
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

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

Saito,Phytochem.,31,(1992),3009