(Q110183684)

English

Petunidin 3-(6''-p-coumaroyl-glucoside)

group of stereoisomers with the chemical formula C₃₁H₂₉O₁₄⁺

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Statements

instance of

group of stereoisomers

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subclass of

organic cation

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mass

625.15518202809 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₂₉O₁₄⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C(OCC1OC(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=C(O)C(O)=C(OC)C4)C(O)C(O)C1O)C=CC5=CC=C(O)C=C5

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isomeric SMILES

COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1O

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found in taxon

Aronia melanocarpa

1 reference

stated in

Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity

Sambucus nigra

1 reference

stated in

Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity

Ribes nigrum

1 reference

stated in

Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity

Ribes uva-crispa

1 reference

stated in

Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity

Ribes rubrum

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stated in

Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity

Vitis vinifera

4 references

stated in

The Phenolic Composition of South African Pinotage, Shiraz and Cabernet Sauvignon Wines

stated in

Determination of anthocyanins and related components in red wines by micro- and capillary HPLC.

stated in

Anthocyanic Composition of Tannat, Cabernet Sauvignon and Merlot Young Red Wines from Uruguay

stated in

Flavonoid glycosides and antioxidant capacity of various blackberry, blueberry and red grape genotypes determined by high-performance liquid chromatography/mass spectrometry

Vitis aestivalis

1 reference

stated in

Flavonoid glycosides and antioxidant capacity of various blackberry, blueberry and red grape genotypes determined by high-performance liquid chromatography/mass spectrometry

Rubus

1 reference

stated in

Flavonoid glycosides and antioxidant capacity of various blackberry, blueberry and red grape genotypes determined by high-performance liquid chromatography/mass spectrometry

Vaccinium corymbosum

1 reference

stated in

Flavonoid glycosides and antioxidant capacity of various blackberry, blueberry and red grape genotypes determined by high-performance liquid chromatography/mass spectrometry

Identifiers

InChI

InChI=1S/C31H28O14/c1-41-22-9-15(8-20(35)26(22)37)30-23(12-18-19(34)10-17(33)11-21(18)43-30)44-31-29(40)28(39)27(38)24(45-31)13-42-25(36)7-4-14-2-5-16(32)6-3-14/h2-12,24,27-29,31,38-40H,13H2,1H3,(H4-,32,33,34,35,36,37)/p+1/t24-,27-,28+,29-,31?/m1/s1

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InChIKey

KTFQEFWNLAUGAX-YQUABMASSA-O

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1 reference

17 September 2022

inferred from InChIKey

Human Metabolome Database ID

HMDB0301666

1 reference

based on heuristic

inferred from InChIKey

(Q110183684)

Petunidin 3-(6''-p-coumaroyl-glucoside)

Statements

Identifiers

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