(Q83069687)

English

Isoquinoline, 6,7-dimethoxy-1-methyl-

chemical compound

In more languages

Statements

type of chemical entity

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isoquinoline alkaloid

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203.094628656 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₂H₁₃NO₂

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canonical SMILES

CC1=NC=CC2=CC(=C(C=C12)OC)OC

0 references

1 reference

Nigellimine: A New Isoquinoline Alkaloid from the Seeds of Nigella sativa

Pachycereus weberi

1 reference

Search for new alkaloids in Pachycereus weberi by tandem mass spectrometry

Identifiers

InChI=1S/C12H13NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h4-7H,1-3H3

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VBMZFACBWDZUSM-UHFFFAOYSA-N

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CAS Registry Number

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VBMZFACBWDZUSM-UHFFFAOYSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=4594-02-9

1 reference

matched by identifier from

VBMZFACBWDZUSM-UHFFFAOYSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C12H13NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h4-7H,1-3H3

UniChem compound ID

1 reference

NMRShiftDB structure ID

1 reference

matched by identifier from

VBMZFACBWDZUSM-UHFFFAOYSA-N

DSSTox substance ID

1 reference

matched by identifier from

VBMZFACBWDZUSM-UHFFFAOYSA-N

DSSTOX compound identifier

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Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

VBMZFACBWDZUSM-UHFFFAOYSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

VBMZFACBWDZUSM-UHFFFAOYSA-N

Sitelinks

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Wiktionary(0 entries)

Multilingual sites(0 entries)

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