6′′-O-Malonylglycitin
CAS Registry Number®
137705-39-6
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CAS Name
6′′-O-MalonylglycitinMolecular Formula
C25H24O13Molecular Mass
532.45Cite this Page
6′′-O-Malonylglycitin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=137705-39-6 (retrieved ) (CAS RN: 137705-39-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C25H24O13/c1-34-16-6-13-15(35-9-14(21(13)30)11-2-4-12(26)5-3-11)7-17(16)37-25-24(33)23(32)22(31)18(38-25)10-36-20(29)8-19(27)28/h2-7,9,18,22-26,31-33H,8,10H2,1H3,(H,27,28)/t18-,22-,23+,24-,25-/m1/s1
InChIKey
InChIKey=OWMHCYFEIJPHFB-GOZZSVHWSA-N
SMILES
O=C1C=2C(=CC(O[C@@H]3O[C@H](COC(CC(O)=O)=O)[C@@H](O)[C@H](O)[C@H]3O)=C(OC)C2)OC=C1C4=CC=C(O)C=C4
Canonical SMILES
O=C(O)CC(=O)OCC1OC(OC2=CC=3OC=C(C(=O)C3C=C2OC)C=4C=CC(O)=CC4)C(O)C(O)C1O
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 7-[[6-O-(2-carboxyacetyl)-β-D-glucopyranosyl]oxy]-3-(4-hydroxyphenyl)-6-methoxy-
- Propanedioic acid, 6′-ester with 7-(β-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
- 4H-1-Benzopyran-4-one, 7-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-3-(4-hydroxyphenyl)-6-methoxy-
- 7-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
- 6′′-O-Malonylglycitin
