input word = C00062697

Metabolite InformationStructural formula
Name Peonidin 3-glucoside
Formula C22H23O11
Mw 463.12403658
CAS RN 68795-37-9
C_ID C00062697
InChIKey ZZWPMFROUHHAKY-OUUKCGNVSA-O
InChICode InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(CO)C(O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaeRutaceaeCitrus sinensis Ref.
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OrganismMangifera indica
Referencehttps://doi.org/10.1007/s12010-017-2529-x