input word = C00014777

Metabolite InformationStructural formula
Name Cyanidin 3-(6''-dioxalylglucoside)
Formula C25H21O17
Mw 593.07787425
CAS RN 398454-26-7
C_ID C00014777 ,
InChIKey NVVPFBWPZCYUJK-RFYNYZDMNA-O
InChICode InChI=1S/C25H20O17/c26-9-4-12(28)10-6-15(20(39-14(10)5-9)8-1-2-11(27)13(29)3-8)40-25-19(32)18(31)17(30)16(41-25)7-38-23(36)24(37)42-22(35)21(33)34/h1-6,16-19,25,30-32H,7H2,(H4-,26,27,28,29,33,34,36,37)/p+1/t16-,17-,18+,19+,25-/m1/s1
SMILES O=C(O)C(=O)OC(=O)C(=O)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRubus laciniatus Ref.
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