(Q105184801)

English

3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1-->2)-O-[beta-D-glucopyranosyl-(1-->6)]-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one

group of stereoisomers with the chemical formula C₃₃H₄₀O₂₁

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Statements

instance of

group of stereoisomers

0 references

1 reference

772.2062083 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₀O₂₁

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canonical SMILES

O=C1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC4OC(C)C(O)C(O)C4O)=C(OC=5C=C(O)C=C(O)C15)C=6C=CC(O)=C(O)C6

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found in taxon

Colicodendron scabridum

1 reference

stated in

Quercetin triglycoside from Capparis spinosa

Identifiers

InChI

InChI=1S/C33H40O21/c1-9-19(39)23(43)27(47)32(49-9)54-30-25(45)21(41)17(8-48-31-26(46)24(44)20(40)16(7-34)51-31)52-33(30)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3

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InChIKey

NRTALHZHXXNSOY-UHFFFAOYSA-N

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CAS Registry Number

55780-29-5

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

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26 December 2021

matched by identifier from

InChIKey

NRTALHZHXXNSOY-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

NRTALHZHXXNSOY-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0037936

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NRTALHZHXXNSOY-UHFFFAOYSA-N

(Q105184801)

3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1-->2)-O-[beta-D-glucopyranosyl-(1-->6)]-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one

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