input word = C00062907

Metabolite InformationStructural formula
Name Delphinidin-3-O-(6-O-acetyl)-glucoside
Formula C23H23O13
Mw 507.11386582
CAS RN 753416-12-5
C_ID C00062907
InChIKey QPXIWIXIRHZIMM-OXUVVOBNSA-O
InChICode InChI=1S/C23H22O13/c1-8(24)33-7-17-19(30)20(31)21(32)23(36-17)35-16-6-11-12(26)4-10(25)5-15(11)34-22(16)9-2-13(27)18(29)14(28)3-9/h2-6,17,19-21,23,30-32H,7H2,1H3,(H4-,25,26,27,28,29)/p+1/t17-,19-,20+,21-,23-/m1/s1
SMILES 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
PlantaeAnacardiaceaeMangifera indica Ref.
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