input word = C00006905

Metabolite InformationStructural formula
Name Malvidin 3-p-coumarylrutinoside
Formula C38H41O18
Mw 785.22928951
CAS RN 757174-16-6
C_ID C00006905 ,
InChIKey FAUFNPIYYOOODX-UHFFFAOYNA-O
InChICode InChI=1S/C38H40O18/c1-16-35(56-28(42)9-6-17-4-7-19(39)8-5-17)32(46)34(48)37(52-16)51-15-27-30(44)31(45)33(47)38(55-27)54-26-14-21-22(41)12-20(40)13-23(21)53-36(26)18-10-24(49-2)29(43)25(11-18)50-3/h4-14,16,27,30-35,37-38,44-48H,15H2,1-3H3,(H3-,39,40,41,42,43)/p+1/t16-,27+,30-,31+,32+,33-,34-,35-,37+,38+/m0/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(COC3OC(C)C(OC(=O)/C=C/c4ccc(O)cc4)C(O)C3O)C(O)C(O)C2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris spp. Ref.
PlantaeSolanaceaePetunia integrifolia subsp. inflata Ref.
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OrganismPetunia integrifolia subsp. inflata
ReferenceTatsuzawa,Phytochem.,52,(1999),351