input word = C00061897

Metabolite InformationStructural formula
Name Delphinidin 3-(6-O-malonylglucoside)
Formula C24H23O15
Mw 551.10369507
CAS RN 478693-96-8
C_ID C00061897
InChIKey FNFHDAUGLIPVPU-XQKZCQIMSA-O
InChICode InChI=1S/C24H22O15/c25-9-3-11(26)10-5-15(23(37-14(10)4-9)8-1-12(27)19(32)13(28)2-8)38-24-22(35)21(34)20(33)16(39-24)7-36-18(31)6-17(29)30/h1-5,16,20-22,24,33-35H,6-7H2,(H5-,25,26,27,28,29,30,32)/p+1/t16-,20-,21+,22-,24-/m1/s1
SMILES O=C(O)CC(=O)OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sinensis Ref.
zoom in