input word = C00014789

Metabolite InformationStructural formula
Name Delphinidin 3-(2-rhamnosyl-6-malonylglucoside)
Formula C30H33O19
Mw 697.16160388
CAS RN 639035-75-9
C_ID C00014789 ,
InChIKey CABNHGLPEDRJTD-DBDBWYNPNA-O
InChICode InChI=1S/C30H32O19/c1-9-21(38)24(41)26(43)29(45-9)49-28-25(42)23(40)18(8-44-20(37)7-19(35)36)48-30(28)47-17-6-12-13(32)4-11(31)5-16(12)46-27(17)10-2-14(33)22(39)15(34)3-10/h2-6,9,18,21,23-26,28-30,38,40-43H,7-8H2,1H3,(H5-,31,32,33,34,35,36,39)/p+1/t9-,18+,21-,23-,24+,25-,26-,28?,29-,30+/m0/s1
SMILES CC1O[C@@H](OC2[C@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)OC(COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeClitoria ternatea Ref.
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