(Q105136356)

English

Quercetin 3,7,4'-O-triglucoside

group of stereoisomers with the chemical formula C₃₃H₄₀O₂₂

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Statements

instance of

group of stereoisomers

0 references

1 reference

788.20112292 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₀O₂₂

0 references

canonical SMILES

O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C13)C=5C=CC(OC6OC(CO)C(O)C(O)C6O)=C(O)C5

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found in taxon

Vitis

1 reference

stated in

Quercetin 3,7,4′-triglucoside formation from quercetin by Vitis hybrid cell cultures

Identifiers

InChI

InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-10-4-12(38)18-14(5-10)50-29(30(22(18)42)55-33-28(48)25(45)21(41)17(8-36)54-33)9-1-2-13(11(37)3-9)51-32-27(47)24(44)20(40)16(7-35)53-32/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2

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InChIKey

JWSWVKOHVSHWQA-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JWSWVKOHVSHWQA-UHFFFAOYSA-N

ChEBI ID

191661

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-10-4-12(38)18-14(5-10)50-29(30(22(18)42)55-33-28(48)25(45)21(41)17(8-36)54-33)9-1-2-13(11(37)3-9)51-32-27(47)24(44)20(40)16(7-35)53-32/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2

1 reference

Human Metabolome Database ID

HMDB0029262

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JWSWVKOHVSHWQA-UHFFFAOYSA-N

(Q105136356)

Quercetin 3,7,4'-O-triglucoside

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Identifiers

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