(Q105150606)

English

Pelargonidin 3-arabinoside

group of stereoisomers with the chemical formula C₂₀H₁₉O₉⁺

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Statements

instance of

group of stereoisomers

0 references

1 reference

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403.10235860809 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₁₉O₉⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

OC=1C=CC(=CC1)C2=[O+]C=3C=C(O)C=C(O)C3C=C2OC4OCC(O)C(O)C4O

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isomeric SMILES

Oc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC[C@H](O)C(O)C2O)cc1

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found in taxon

Vaccinium japonicum

1 reference

stated in

Anthocyanins in fruits of Vaccinium Japonicum

Identifiers

InChI

InChI=1S/C20H18O9/c21-10-3-1-9(2-4-10)19-16(29-20-18(26)17(25)14(24)8-27-20)7-12-13(23)5-11(22)6-15(12)28-19/h1-7,14,17-18,20,24-26H,8H2,(H2-,21,22,23)/p+1/t14-,17?,18?,20-/m0/s1

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InChIKey

LEJPLPFWLUXHCB-VLNXYBQZSA-O

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1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

176352

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H18O9/c21-10-3-1-9(2-4-10)19-16(29-20-18(26)17(25)14(24)8-27-20)7-12-13(23)5-11(22)6-15(12)28-19/h1-7,14,17-18,20,24-26H,8H2,(H2-,21,22,23)/p+1/t14-,17?,18?,20-/m0/s1

1 reference

1 reference

LEJPLPFWLUXHCB-VLNXYBQZSA-O

17 April 2021

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

(Q105150606)

Pelargonidin 3-arabinoside

Statements

Identifiers

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