(Q27138487)

CHEBI:70147 (English)

2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

7 October 2016

stereoisomer of

Quercetin-7-o-rutinoside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₀O₁₆

1 reference

CHEBI:70147 (English)

7 October 2016

canonical SMILES

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O

1 reference

CHEBI:70147 (English)

7 October 2016

isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O

1 reference

CHEBI:70147 (English)

InChI=1S/C27H30O16/c1-8-17(31)20(34)23(37)26(40-8)39-7-15-18(32)21(35)24(38)27(43-15)41-10-5-13(30)16-14(6-10)42-25(22(36)19(16)33)9-2-3-11(28)12(29)4-9/h2-6,8,15,17-18,20-21,23-24,26-32,34-38H,7H2,1H3/t8-,15+,17-,18-,20+,21-,23+,24+,26+,27+/m0/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:70147 (English)

IVTMALDHFAHOGL-GJRUVZIXSA-N

7 October 2016

InChIKey

2 references

CHEBI:70147 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranoside (English)

7 October 2016

2 references

CHEBI:70147 (English)

matched by identifier from

7 October 2016

InChIKey

IVTMALDHFAHOGL-GJRUVZIXSA-N

ChEBI ID

70147

mapping relation type

2 references

quercetin-7-O-[alpha-L-rhamnopyranosyl(1->6)-beta-D-galactopyranoside] (English)