Pelargonidin 3-(6′′-malonylglucoside)
CAS Registry Number®
165070-68-8
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CAS Name
Pelargonidin 3-(6′′-malonylglucoside)Molecular Formula
C24H23O13Cite this Page
Pelargonidin 3-(6′′-malonylglucoside). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=165070-68-8 (retrieved ) (CAS RN: 165070-68-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)23-16(7-13-14(27)5-12(26)6-15(13)35-23)36-24-22(33)21(32)20(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,20-22,24,31-33H,8-9H2,(H3-,25,26,27,28,29)/p+1/t17-,20-,21+,22-,24-/m1/s1
InChIKey
InChIKey=XLZUBCUKXQFBKB-JZWLZXDTSA-O
SMILES
O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC=C(O)C=C3)[C@@H]4O[C@H](COC(CC(O)=O)=O)[C@@H](O)[C@H](O)[C@H]4O
Canonical SMILES
O=C(O)CC(=O)OCC1OC(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=CC(O)=CC4)C(O)C(O)C1O
Other Names for this Substance
- 1-Benzopyrylium, 3-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
- 3-[[6-O-(Carboxyacetyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium
- Pelargonidin 3-(6′′-malonylglucoside)
- Pelargonidin-3-O-(6′-(malonyl)-glucoside)
