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5-Nitrovanillin

UUID f24fb42c-3582-4025-9a19-bc45ab61b29b
Flow Object IDfo-15a459f5b8288928
Source EF 3.1
Context Environmental → Air → Ground level → Rural (<1000 people/square mile)
CAS Numbers 6635-20-7
EC Numbers 229-633-2
prefLabel ⓘ
Language Value Provenance
en 5-Nitrovanillin
altLabel ⓘ
Language Value Provenance
en 3-methoxy-4-hydroxy-5-nitrobenzaldehyde
en 4-hydroxy-3-methoxy-5-nitro-benzaldehyde
en 3-Nitro-4-hydroxy-5-methoxybenzaldehyde
en 4-Hydroxy-3-methoxy-5-nitrobenzaldehyde
en 4-Hydroxy-5-methoxy-3-nitrobenzaldehyde
en 5-Nitro-4-hydroxy-3-methoxybenzaldehyde
en Benzaldehyde, 4-hydroxy-3-methoxy-5-nitro-
en NSC 16932
en NSC 35352
en Vanillin, 5-nitro-
Definitions
Language Value Provenance
en A member of the class of benzaldehydes that is vanillin in which the hydrogen ortho- to the hydroxy group is substituted by a nitro group.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey ZEHYRTJBFMZHCY-UHFFFAOYSA-N
InChI InChI=1S/C8H7NO5/c1-14-7-3-5(4-10)2-6(8(7)11)9(12)13/h2-4,11H,1H3
IUPAC name 3-methoxy-5-nitro-4-oxidanyl-benzaldehyde, 4-hydroxy-3-methoxy-5-nitro-benzaldehyde, 4-hydroxy-3-methoxy-5-nitrobenzaldehyde
Molecular formula C8H7NO5
Molecular mass 197.146
Monoisotopic mass 197.03242
SMILES COC1=CC(=CC(=C1O)[N+](=O)[O-])C=O, [H]C(=O)c1cc(OC)c(O)c([N+](=O)[O-])c1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 f24fb42c-3582-4025-9a19-bc45ab61b29b 4-hydroxy-3-methoxy-5-nitrobenzaldehyde

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 4-hydroxy-3-methoxy-5-nitrobenzaldehyde Emissions/Emissions to air/Emissions to air, unspecified (long-term) kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=4-hydroxy-3-methoxy-5-nitrobenzaldehyde||dimension=Environmental > media=Water > water_body=Unknown; cas=6635-20-7; added Common Chemistry CAS names as altLabel: 3-Nitro-4-hydroxy-5-methoxybenzaldehyde, 4-Hydroxy-3-methoxy-5-nitrobenzaldehyde, 4-Hydroxy-5-methoxy-3-nitrobenzaldehyde, 5-Nitro-4-hydroxy-3-methoxybenzaldehyde, Benzaldehyde, 4-hydroxy-3-methoxy-5-nitro-, NSC 16932, NSC 35352, Vanillin, 5-nitro-; object_uuid=fo-15a459f5b8288928
cas_match_labels 1 — consensus_match group_key=4-hydroxy-3-methoxy-5-nitrobenzaldehyde||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'6635-20-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-15a459f5b8288928: {'6635-20-7': 'exactMatch'}
prefLabel 1 — consensus_match cas=6635-20-7; cc_chebi_agreed_name='5-Nitrovanillin'; object_uuid=fo-15a459f5b8288928

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityRural (<1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '4-hydroxy-3-methoxy-5-nitrobenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': '5-Nitrovanillin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6635-20-7'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=6635-20-7; cc_chebi_agreed_name='5-Nitrovanillin'; object_uuid=fo-15a459f5b8288928
altLabel [{'@value': '3-methoxy-4-hydroxy-5-nitrobenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-methoxy-4-hydroxy-5-nitrobenzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_48385', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-hydroxy-3-methoxy-5-nitro-benzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-hydroxy-3-methoxy-5-nitro-benzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_48385', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '3-methoxy-4-hydroxy-5-nitrobenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-methoxy-4-hydroxy-5-nitrobenzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_48385', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-hydroxy-3-methoxy-5-nitro-benzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-hydroxy-3-methoxy-5-nitro-benzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_48385', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-hydroxy-3-methoxy-5-nitrobenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=6635-20-7; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-15a459f5b8288928
altLabel [{'@value': '3-methoxy-4-hydroxy-5-nitrobenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-methoxy-4-hydroxy-5-nitrobenzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_48385', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-hydroxy-3-methoxy-5-nitro-benzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-hydroxy-3-methoxy-5-nitro-benzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_48385', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-hydroxy-3-methoxy-5-nitrobenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '3-methoxy-4-hydroxy-5-nitrobenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-methoxy-4-hydroxy-5-nitrobenzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_48385', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-hydroxy-3-methoxy-5-nitro-benzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-hydroxy-3-methoxy-5-nitro-benzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_48385', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-Nitro-4-hydroxy-5-methoxybenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6635-20-7', 'https://commonchemistry.cas.org/detail?cas_rn=6635-20-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Hydroxy-3-methoxy-5-nitrobenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6635-20-7', 'https://commonchemistry.cas.org/detail?cas_rn=6635-20-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Hydroxy-5-methoxy-3-nitrobenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6635-20-7', 'https://commonchemistry.cas.org/detail?cas_rn=6635-20-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Nitro-4-hydroxy-3-methoxybenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6635-20-7', 'https://commonchemistry.cas.org/detail?cas_rn=6635-20-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzaldehyde, 4-hydroxy-3-methoxy-5-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6635-20-7', 'https://commonchemistry.cas.org/detail?cas_rn=6635-20-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 16932', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6635-20-7', 'https://commonchemistry.cas.org/detail?cas_rn=6635-20-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 35352', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6635-20-7', 'https://commonchemistry.cas.org/detail?cas_rn=6635-20-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Vanillin, 5-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6635-20-7', 'https://commonchemistry.cas.org/detail?cas_rn=6635-20-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=4-hydroxy-3-methoxy-5-nitrobenzaldehyde||dimension=Environmental > media=Water > water_body=Unknown; cas=6635-20-7; added Common Chemistry CAS names as altLabel: 3-Nitro-4-hydroxy-5-methoxybenzaldehyde, 4-Hydroxy-3-methoxy-5-nitrobenzaldehyde, 4-Hydroxy-5-methoxy-3-nitrobenzaldehyde, 5-Nitro-4-hydroxy-3-methoxybenzaldehyde, Benzaldehyde, 4-hydroxy-3-methoxy-5-nitro-, NSC 16932, NSC 35352, Vanillin, 5-nitro-; object_uuid=fo-15a459f5b8288928
cas_match_labels None {'6635-20-7': 'exactMatch'} group_key=4-hydroxy-3-methoxy-5-nitrobenzaldehyde||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'6635-20-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-15a459f5b8288928: {'6635-20-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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