(Q105187167)

English

5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-4-oxo-2,3-dihydro-1-benzopyran-8-yl acetate

group of stereoisomers with the chemical formula C₁₉H₁₈O₇

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Statements

group of stereoisomers

0 references

1 reference

358.10525291599987 dalton

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based on heuristic

inferred from InChI

chemical formula

C₁₉H₁₈O₇

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canonical SMILES

O=C(OC=1C(OC)=CC(O)=C2C(=O)C(COC12)CC3=CC=C(O)C=C3)C

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Identifiers

InChI=1S/C19H18O7/c1-10(20)26-18-15(24-2)8-14(22)16-17(23)12(9-25-19(16)18)7-11-3-5-13(21)6-4-11/h3-6,8,12,21-22H,7,9H2,1-2H3

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NXGGYXKVAVMQLL-UHFFFAOYSA-N

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CAS Registry Number

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CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

NXGGYXKVAVMQLL-UHFFFAOYSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C19H18O7/c1-10(20)26-18-15(24-2)8-14(22)16-17(23)12(9-25-19(16)18)7-11-3-5-13(21)6-4-11/h3-6,8,12,21-22H,7,9H2,1-2H3

UniChem compound ID

1 reference

NMRShiftDB structure ID

1 reference

matched by identifier from

NXGGYXKVAVMQLL-UHFFFAOYSA-N

DSSTox substance ID

DTXSID801114060

1 reference

matched by identifier from

NXGGYXKVAVMQLL-UHFFFAOYSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

NXGGYXKVAVMQLL-UHFFFAOYSA-N

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