(Q105276246)

English

4,7-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-1,4-benzoxazin-3-one

group of stereoisomers with the chemical formula C₁₆H₂₁NO₁₀

In more languages

Statements

group of stereoisomers

0 references

benzoxazine alkaloid

1 reference

benzoxazine alkaloid

387.11654587199985 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₁NO₁₀

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canonical SMILES

O=C1N(OC)C2=CC=C(OC)C=C2OC1OC3OC(CO)C(O)C(O)C3O

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Identifiers

InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3

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UOASSFRPBORTCT-UHFFFAOYSA-N

0 references

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

UOASSFRPBORTCT-UHFFFAOYSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3

UniChem compound ID

1 reference

MassBank accession ID

MSBNK-RIKEN-PR309387

1 reference

UOASSFRPBORTCT-UHFFFAOYSA-N

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

based on heuristic

MSBNK-RIKEN-PR311129

1 reference

UOASSFRPBORTCT-UHFFFAOYSA-N

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

based on heuristic

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

UOASSFRPBORTCT-UHFFFAOYSA-N

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