(Q105234181)

English

(2S,3R,4S,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Cyanidin 3-galactoside-5-glucoside

1 reference

based on heuristic

inferred from SMILES

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

1 reference

based on heuristic

inferred from SMILES

mass

611.16066133209 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

cyanidin-3,5-O-diglucoside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3R,4S,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₁O₁₆⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

OC=1C=C(OC2OC(CO)C(O)C(O)C2O)C=3C=C(OC4OC(CO)C(O)C(O)C4O)C(=[O+]C3C1)C=5C=CC(O)=C(O)C5

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isomeric SMILES

OC[C@@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)c(O)c4)c(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Allium cepa

1 reference

stated in

Anthocyanins with 4'-glucosidation from red onion, Allium cepa

Cyclamen persicum

1 reference

stated in

Peonidin 3-O-neohesperidoside and other flavonoids from Cyclamen persicum petals

Geranium sylvaticum

1 reference

stated in

Malvidin 3-(6-acetylglucoside)-5-glucoside and other anthocyanins from flowers of Geranium sylvaticum

Lobostemon

1 reference

stated in

The major flower anthocyanins of Lobostemon (Boraginaceae)

Lonicera caerulea

1 reference

stated in

Characterization and quantification of anthocyanins and polyphenolics in bluehHoneysuckle (Lonicera caerulea L.).

basil

1 reference

stated in

Anthocyanins in Basil (Ocimum basilicumL.)

Pelargonium dolomiticum

1 reference

stated in

Pigment chemistry and colour of Pelargonium flowers

Pisum sativum

1 reference

stated in

Biochemical genetics of pigmentation in Pisum sativum

Sambucus canadensis

1 reference

stated in

Acylated anthocyanins from fruits of Sambucus canadensis

Saraca indica

1 reference

stated in

Structural Studies of Two Anthocyanin Pigments from the Flowers of Saraca indica

Punica granatum

2 references

stated in

A "White" Anthocyanin-less Pomegranate (Punica granatum L.) Caused by an Insertion in the Coding Region of the Leucoanthocyanidin Dioxygenase (LDOX; ANS) Gene

stated in

Diverse Phytochemicals and Bioactivities in the Ancient Fruit and Modern Functional Food Pomegranate (Punica granatum).

Rhaponticum carthamoides

1 reference

stated in

Chemistry and pharmacology of Rhaponticum carthamoides: a review.

Identifiers

InChI

InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19+,20+,21-,22+,23+,24+,26+,27+/m0/s1

0 references

InChIKey

RDFLLVCQYHQOBU-GPGGJFNDSA-O

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RDFLLVCQYHQOBU-GPGGJFNDSA-O

1 reference

(Q105234181)

(2S,3R,4S,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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