(Q105306125)

English

5,7-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydro-1-benzopyran-4-one

group of stereoisomers with the chemical formula C₁₇H₁₆O₆

In more languages

Statements

group of stereoisomers

0 references

1 reference

316.09468823199995 dalton

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based on heuristic

inferred from InChI

chemical formula

C₁₇H₁₆O₆

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canonical SMILES

O=C1C=2C(O)=CC(O)=CC2OCC1CC3=CC=C(OC)C(O)=C3

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Identifiers

InChI=1S/C17H16O6/c1-22-14-3-2-9(5-12(14)19)4-10-8-23-15-7-11(18)6-13(20)16(15)17(10)21/h2-3,5-7,10,18-20H,4,8H2,1H3

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WIBOONWRYQFYQJ-UHFFFAOYSA-N

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CAS Registry Number

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CAS (formerly Chemical Abstracts Service)

25 January 2022

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based on heuristic

inferred from InChIKey

mapping relation type

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ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C17H16O6/c1-22-14-3-2-9(5-12(14)19)4-10-8-23-15-7-11(18)6-13(20)16(15)17(10)21/h2-3,5-7,10,18-20H,4,8H2,1H3

UniChem compound ID

1 reference

NMRShiftDB structure ID

1 reference

matched by identifier from

WIBOONWRYQFYQJ-UHFFFAOYSA-N

DSSTox substance ID

DTXSID201127279

1 reference

matched by identifier from

WIBOONWRYQFYQJ-UHFFFAOYSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

WIBOONWRYQFYQJ-UHFFFAOYSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

WIBOONWRYQFYQJ-UHFFFAOYSA-N

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