(Q110077195)

English

(2S)-4-[(E)-2-[6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

506.153659652 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₆N₂O₁₁

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canonical SMILES

O=C(O)C1=NC(C(=O)O)CC(C=CN2C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2)=C1

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isomeric SMILES

O=C(O)C1=N[C@H](C(=O)O)CC(/C=C/N2CCc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc32)=C1

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found in taxon

Spinacia oleracea

1 reference

stated in

Detection of betacyanin in red-tube spinach (Spinacia oleracea) and its biofortification by strategic hydroponics

Beta vulgaris

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stated in

Formation and occurrence of dopamine-derived betacyanins

stated in

Betalainic and nutritional profiles of pigment-enriched red beet root (Beta vulgaris L.) dried extracts

Identifiers

InChI

InChI=1S/C23H26N2O11/c26-9-17-18(28)19(29)20(30)23(36-17)35-16-7-11-2-4-25(14(11)8-15(16)27)3-1-10-5-12(21(31)32)24-13(6-10)22(33)34/h1,3,5,7-8,13,17-20,23,26-30H,2,4,6,9H2,(H,31,32)(H,33,34)/b3-1+/t13-,17+,18+,19-,20+,23+/m0/s1

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InChIKey

NKPOBGKIHKAVLR-FBJYTSLGSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

1 reference

inferred from InChIKey

(Q110077195)

(2S)-4-[(E)-2-[6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid

Statements

Identifiers

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