(Q27137232)

English

quercetin 3-O-[alpha-L-rhamnopyranosyl(1->2)-beta-D-galactopyranosyl]-7-O-alpha-L-rhamnopyranoside

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

756.211±0 dalton

1 reference

language of work or name

CHEBI:68876 (English)

7 October 2016

stereoisomer of

Quercetin 3-neohesperidoside-7-rhamnoside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

1 reference

based on heuristic

inferred from InChI

quercetin-3-neohesperidoside-7-rhamnoside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₀O₂₀

1 reference

language of work or name

CHEBI:68876 (English)

7 October 2016

canonical SMILES

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC(=C(C=C6)O)O)CO)O)O)O)O)O

1 reference

language of work or name

CHEBI:68876 (English)

7 October 2016

isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)C6=CC(=C(C=C6)O)O)CO)O)O)O)O)O

1 reference

language of work or name

CHEBI:68876 (English)

7 October 2016

Identifiers

InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(47-9)49-12-6-15(37)18-16(7-12)50-28(11-3-4-13(35)14(36)5-11)29(22(18)41)52-33-30(25(44)21(40)17(8-34)51-33)53-32-27(46)24(43)20(39)10(2)48-32/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31-,32-,33-/m0/s1

1 reference

language of work or name

CHEBI:68876 (English)

7 October 2016

WLPJMCCYDZFCBL-PJRUTDBJSA-N

2 references

language of work or name

CHEBI:68876 (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranoside (English)

7 October 2016

2 references

language of work or name

CHEBI:68876 (English)

7 October 2016

matched by identifier from

WLPJMCCYDZFCBL-PJRUTDBJSA-N

Reaxys registry number

20310875

1 reference

language of work or name

quercetin 3-O-[alpha-L-rhamnopyranosyl(1->2)-beta-D-galactopyranosyl]-7-O-alpha-L-rhamnopyranoside (English)

7 October 2016

mapping relation type

2 references

language of work or name

quercetin 3-O-[alpha-L-rhamnopyranosyl(1->2)-beta-D-galactopyranosyl]-7-O-alpha-L-rhamnopyranoside (English)

7 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(47-9)49-12-6-15(37)18-16(7-12)50-28(11-3-4-13(35)14(36)5-11)29(22(18)41)52-33-30(25(44)21(40)17(8-34)51-33)53-32-27(46)24(43)20(39)10(2)48-32/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31-,32-,33-/m0/s1

1 reference

language of work or name

CHEMBL1929024 (English)

7 October 2016

UniChem compound ID

1 reference

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