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Isoquinoline

UUID 5d72c87b-6d76-403a-9743-b4a376c9a2b4
Deprecated yes
Replaced By f1f6edb8-cbb5-4263-a6c4-56353646a985
Flow Object IDfo-8276c817b83484dc
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 119-65-3
EC Numbers 204-341-8
prefLabel
Language Value Provenance
en Isoquinoline
altLabel ⓘ
Language Value Provenance
en 2-Benzazine
en Benzo[c]pyridine
en Isochinolin
en 2-Azanaphthalene
en Benzo[<em>c</em>]pyridine
en Benzopyridine
en NSC 3395
en β-Quinoline
Definitions
Language Value Provenance
en An ortho-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene ring.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey AWJUIBRHMBBTKR-UHFFFAOYSA-N
InChI InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
IUPAC name isoquinoline
Molecular formula C9H7N
Molecular mass 129.162
Monoisotopic mass 129.05785
SMILES C1=CC=C2C=NC=CC2=C1, c1ccc2cnccc2c1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 5d72c87b-6d76-403a-9743-b4a376c9a2b4 isoquinoline

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=isoquinoline||dimension=Environmental > media=Air > strata=Unknown; cas=119-65-3; added Common Chemistry CAS names as altLabel: 2-Azanaphthalene, Benzo[<em>c</em>]pyridine, Benzopyridine, NSC 3395, β-Quinoline; object_uuid=fo-8276c817b83484dc
cas_match_labels 1 — consensus_match group_key=isoquinoline||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'119-65-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8276c817b83484dc: {'119-65-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '2-Benzazine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Benzazine', 'http://purl.obolibrary.org/obo/CHEBI_16092', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzo[c]pyridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzo[c]pyridine', 'http://purl.obolibrary.org/obo/CHEBI_16092', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isochinolin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isochinolin', 'http://purl.obolibrary.org/obo/CHEBI_16092', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2-Benzazine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Benzazine', 'http://purl.obolibrary.org/obo/CHEBI_16092', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzo[c]pyridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzo[c]pyridine', 'http://purl.obolibrary.org/obo/CHEBI_16092', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isochinolin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isochinolin', 'http://purl.obolibrary.org/obo/CHEBI_16092', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Azanaphthalene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:119-65-3', 'https://commonchemistry.cas.org/detail?cas_rn=119-65-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzo[<em>c</em>]pyridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:119-65-3', 'https://commonchemistry.cas.org/detail?cas_rn=119-65-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzopyridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:119-65-3', 'https://commonchemistry.cas.org/detail?cas_rn=119-65-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 3395', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:119-65-3', 'https://commonchemistry.cas.org/detail?cas_rn=119-65-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'β-Quinoline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:119-65-3', 'https://commonchemistry.cas.org/detail?cas_rn=119-65-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=isoquinoline||dimension=Environmental > media=Air > strata=Unknown; cas=119-65-3; added Common Chemistry CAS names as altLabel: 2-Azanaphthalene, Benzo[<em>c</em>]pyridine, Benzopyridine, NSC 3395, β-Quinoline; object_uuid=fo-8276c817b83484dc
cas_match_labels None {'119-65-3': 'exactMatch'} group_key=isoquinoline||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'119-65-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8276c817b83484dc: {'119-65-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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  "ec_numbers": [
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  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "5d72c87b-6d76-403a-9743-b4a376c9a2b4",
  "input_datasets": [
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      "source_flow_name": "isoquinoline",
      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to water",
          "Emissions to water, unspecified (long-term)"
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      }
    }
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