input word = C00062217

Metabolite InformationStructural formula
Name Pelargonidin 3-O-rutinoside
Formula C27H31O14
Mw 579.1713807
CAS RN 56054-42-3
C_ID C00062217
InChIKey IFYOHQQBIKDHFT-ASZXTAQUSA-O
InChICode InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)/p+1/t10-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1
SMILES CC1OC(OCC2OC(Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeRosaceaePrunus avium Ref.
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