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English
laricitrin 3-glucoside
chemical compound
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
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Statements
instance of
type of chemical entity
0 references
subclass of
flavonol 3-O-glycoside
1 reference
based on heuristic
inferred from SMILES
mass
494.10604076399983
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Laricitrin 3-O-glucoside
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₂O₁₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)cc(O)c1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@H]2O[C@H](CO)[C@@H](O)C(O)C2O)cc(O)c1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H22O13/c1-32-12-3-7(2-10(26)15(12)27)20-21(17(29)14-9(25)4-8(24)5-11(14)33-20)35-22-19(31)18(30)16(28)13(6-23)34-22/h2-5,13,16,18-19,22-28,30-31H,6H2,1H3/t13-,16-,18?,19?,22-/m1/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
ODXINVOINFDDDD-BCXICDMVSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
44259475
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
ODXINVOINFDDDD-BCXICDMVSA-N
ChEBI ID
147431
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H22O13/c1-32-12-3-7(2-10(26)15(12)27)20-21(17(29)14-9(25)4-8(24)5-11(14)33-20)35-22-19(31)18(30)16(28)13(6-23)34-22/h2-5,13,16,18-19,22-28,30-31H,6H2,1H3/t13-,16-,18?,19?,22-/m1/s1
UniChem compound ID
60735141
1 reference
stated in
UniChem
LIPID MAPS ID
LMPK12112471
1 reference
InChIKey
ODXINVOINFDDDD-BCXICDMVSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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