(Q125699711)

English

(2R)-1-[(2E)-2-[(2R)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-6-hydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

550.1434888919998 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₄H₂₆N₂O₁₃

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canonical SMILES

O=C(O)C1=CC(=CC=[N+]2C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(N1)C(=O)O

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isomeric SMILES

O=C(O)C1=C/C(=C/C=[N+]2/c3cc(O)c(O[C@H]4OC(CO)[C@@H](O)[C@@H](O)[C@@H]4O)cc3C[C@@H]2C(=O)[O-])C[C@H](C(=O)O)N1

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found in taxon

Chenopodium rubrum

1 reference

stated in

Accumulation of phenolic acid conjugates and betacyanins, and changes in the activities of enzymes involved in feruloylglucose metabolism in cell-suspension cultures of Chenopodium rubrum L

Oxybasis rubra

1 reference

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Accumulation of phenolic acid conjugates and betacyanins, and changes in the activities of enzymes involved in feruloylglucose metabolism in cell-suspension cultures of Chenopodium rubrum L

Erepsia pillansii

1 reference

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Psammophora modesta

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Lampranthus furvus

1 reference

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Lampranthus bicolor

1 reference

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Lampranthus peersii

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Lampranthus emarginatus

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Lampranthus zeyheri

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Lampranthus falcatus

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Lampranthus multiseriatus

1 reference

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Leipoldtia laxa

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Astridia

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Drosanthemum

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Trichodiadema

1 reference

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Dracophilus

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Conophytum minutum

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Conophytum taylorianum

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Erepsia lacera

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Delosperma lavisiae

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Conophytum ectypum

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Conophytum praesectum

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Erepsia ramosa

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Erepsia inclaudens

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Delosperma brunnthaleri

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Mestoklema tuberosum

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Distribution of betacyanins and hydroxycinnamic acid glucose esters in flowers of the ruschieae

Phytolacca americana

2 references

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Betacyanins from plants and cell cultures of Phytolacca americana.

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Researches on the utilisation of the pigment fromPhytolacca decandra L. as a food colorant: Part 1—preparation of an extract free from toxic substances

Phytolacca acinosa

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Betacyanins from plants and cell cultures of Phytolacca americana.

Beta vulgaris

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ISOLATION OF NATURAL PIGMENTS BY HIGH SPEED CCC

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STABILITY OF PHYTOLACCANIN, BETANIN AND FD&C RED #2 IN DESSERT GELS

Opuntia ficus-indica

3 references

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Antioxidant activities of sicilian prickly pear (Opuntia ficus indica) fruit extracts and reducing properties of its betalains: betanin and indicaxanthin.

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Application of high-performance liquid chromatography to the characterization of the betalain pigments in prickly pear fruits

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Betanin a betacyanin pigment purified from fruits of Opuntia ficus-indica induces apoptosis in human chronic myeloid leukemia Cell line-K562.

Amaranthus cruentus

1 reference

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Hydroxycinnamic acid esters of isocitric acid: Accumulation and enzymatic synthesis in Amaranthus cruentus

Amaranthus caudatus

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Qualitative and quantitative aspects of betalains biosynthesis in Amaranthus caudatus L. var. pendula seedlings

Phytolacca dodecandra

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STABILITY OF PHYTOLACCANIN, BETANIN AND FD&C RED #2 IN DESSERT GELS

Identifiers

InChI

InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14-,17?,18-,19-,20+,24+/m1/s1

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InChIKey

DHHFDKNIEVKVKS-ZCSPIJTESA-N

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PubChem CID

53315704

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matched by identifier from

InChIKey

DHHFDKNIEVKVKS-ZCSPIJTESA-N

SureChEMBL ID

SCHEMBL158556

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DHHFDKNIEVKVKS-ZCSPIJTESA-N

(Q125699711)

(2R)-1-[(2E)-2-[(2R)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-6-hydroxy-5-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate

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