(Q105216131)

English

3-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

group of stereoisomers with the chemical formula C₃₂H₃₈O₁₉

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Statements

instance of

group of stereoisomers

0 references

1 reference

726.200728996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₃₈O₁₉

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canonical SMILES

O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC4OCC(O)(CO)C4O)=C(OC=5C=C(O)C=C(O)C15)C=6C=CC(O)=CC6

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found in taxon

Chenopodium quinoa

1 reference

stated in

Two flavonol glycosides from Chenopodium quinoa

Identifiers

InChI

InChI=1S/C32H38O19/c1-11-19(37)22(40)24(42)29(47-11)45-8-17-20(38)23(41)27(51-31-28(43)32(44,9-33)10-46-31)30(49-17)50-26-21(39)18-15(36)6-14(35)7-16(18)48-25(26)12-2-4-13(34)5-3-12/h2-7,11,17,19-20,22-24,27-31,33-38,40-44H,8-10H2,1H3

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InChIKey

PXDYLXHBUIPSMK-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PXDYLXHBUIPSMK-UHFFFAOYSA-N

ChEBI ID

191719

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C32H38O19/c1-11-19(37)22(40)24(42)29(47-11)45-8-17-20(38)23(41)27(51-31-28(43)32(44,9-33)10-46-31)30(49-17)50-26-21(39)18-15(36)6-14(35)7-16(18)48-25(26)12-2-4-13(34)5-3-12/h2-7,11,17,19-20,22-24,27-31,33-38,40-44H,8-10H2,1H3

1 reference

Human Metabolome Database ID

HMDB0039759

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PXDYLXHBUIPSMK-UHFFFAOYSA-N

(Q105216131)

3-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

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Identifiers

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