(Q105165191)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

flavylium compound

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mass

579.17083209209 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Pelargonidin 3-rhamnoside-5-glucoside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₁O₁₄⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

OC=1C=CC(=CC1)C2=[O+]C=3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3C=C2OC5OC(C)C(O)C(O)C5O

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isomeric SMILES

C[C@@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Pisum sativum

1 reference

stated in

Biochemical genetics of pigmentation in Pisum sativum

Identifiers

InChI

InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(37-10)40-17-8-14-15(38-25(17)11-2-4-12(29)5-3-11)6-13(30)7-16(14)39-27-24(36)22(34)20(32)18(9-28)41-27/h2-8,10,18-24,26-28,31-36H,9H2,1H3,(H-,29,30)/p+1/t10-,18-,19-,20+,21+,22-,23-,24+,26-,27+/m0/s1

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InChIKey

MIRNSFCHJINZJP-ORIFBLTDSA-O

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MIRNSFCHJINZJP-ORIFBLTDSA-O

(Q105165191)

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

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Identifiers

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