3-(methoxycarbonyl)-5-nitrobenzoic Acid
Everything that changed this flow. Back to the flow
0d0ca7d9-111c-46a8-88c1-c5de31800233
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=3-(methoxycarbonyl)-5-nitrobenzoicacid||dimension=Environmental > media=Ground > geography=Unknown; cas=1955-46-0; added Common Chemistry CAS names as altLabel: 1,3-Benzenedicarboxylic acid, 5-nitro-, 1-methyl ester, 1,3-Benzenedicarboxylic acid, 5-nitro-, monomethyl ester, 1-Methyl 5-nitro-1,3-benzenedicarboxylate, 3-Carbomethoxy-5-nitrobenzoic acid, 3-Methoxycarbonyl-5-nitrobenzoic acid, 3-Nitro-5-(methoxycarbonyl)benzoic acid, 5-Nitro-1,3-benzenedicarboxylic acid methyl ester, 5-Nitro-1,3-benzenedicarboxylic acid monomethyl ester, 5-Nitro-3-(carbomethoxy)benzoic acid, 5-Nitroisophthalic acid methyl ester, 5-Nitroisophthalic acid monomethyl ester, Isophthalic acid, 5-nitro-, methyl ester, Isophthalic acid, 5-nitro-, monomethyl ester, Methyl 3-carboxy-5-nitrobenzoate, Methyl hydrogen 5-nitroisophthalate, Monomethyl 5-nitroisophthalate; object_uuid=fo-8ae1ee23d10f57fa |
| cas_match_labels | 1 | consensus_match | group_key=3-(methoxycarbonyl)-5-nitrobenzoicacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1955-46-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8ae1ee23d10f57fa: {'1955-46-0': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1955-46-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[74776, 161154, 6931682, 21942650]; selected_pubchem_cids=[74776]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 11,353 | bootstrap_labels | prefLabel | — | [{"@value":"3-(methoxycarbonyl)-5-nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 11,354 | bootstrap_labels | name | 3-(methoxycarbonyl)-5-nitrobenzoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 11,355 | bootstrap_labels | synonyms | ["organic","methyl5-nitrohydrogen.isophthalate","1,3benxenedicarboxylicacid","5-nipamme","5-nitro-,1-methylester","5-ni… | [] | Removed legacy synonyms field in favor of structured labels |
| 44,158 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 44,159 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 217,102 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,743 | normalize_name_case | prefLabel | [{"@value":"3-(methoxycarbonyl)-5-nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | [{"@value":"3-(methoxycarbonyl)-5-nitrobenzoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,975 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7NO6"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,976 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,977 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J199.778E","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['1955-46-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[74776, 161154, 6931682, 21942650]; selected_pubchem_cids=[74776]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 251,417 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7NO6"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7NO6"],… | rdkit_pre_consensus from 'COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 261,815 | consensus_match | altLabel | [] | [{"@value":"1,3-Benzenedicarboxylic acid, 5-nitro-, 1-methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"c… | group_key=3-(methoxycarbonyl)-5-nitrobenzoicacid||dimension=Environmental > media=Ground > geography=Unknown; cas=1955-46-0; added Common Chemistry CAS names as altLabel: 1,3-Benzenedicarboxylic acid, 5-nitro-, 1-methyl ester, 1,3-Benzenedicarboxylic acid, 5-nitro-, monomethyl ester, 1-Methyl 5-nitro-1,3-benzenedicarboxylate, 3-Carbomethoxy-5-nitrobenzoic acid, 3-Methoxycarbonyl-5-nitrobenzoic acid, 3-Nitro-5-(methoxycarbonyl)benzoic acid, 5-Nitro-1,3-benzenedicarboxylic acid methyl ester, 5-Nitro-1,3-benzenedicarboxylic acid monomethyl ester, 5-Nitro-3-(carbomethoxy)benzoic acid, 5-Nitroisophthalic acid methyl ester, 5-Nitroisophthalic acid monomethyl ester, Isophthalic acid, 5-nitro-, methyl ester, Isophthalic acid, 5-nitro-, monomethyl ester, Methyl 3-carboxy-5-nitrobenzoate, Methyl hydrogen 5-nitroisophthalate, Monomethyl 5-nitroisophthalate; object_uuid=fo-8ae1ee23d10f57fa |
| 261,816 | consensus_match | cas_match_labels | — | {"1955-46-0":"exactMatch"} | group_key=3-(methoxycarbonyl)-5-nitrobenzoicacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1955-46-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8ae1ee23d10f57fa: {'1955-46-0': 'exactMatch'} |
| 283,218 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7NO6"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7NO6"],… | rdkit_post_consensus from 'COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 303,105 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0d0ca7d9-111c-… | associations resolved on the elementary layer |
| 390,953 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7NO6"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7NO6"],… | typed the way the ontology types it |
| 398,791 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260821T1302361922970000/11353 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v0 | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v1 |
| ef:activity/change/20260821T1302361922970000/11354 | name | ef:agent/bootstrap_labels | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v1 | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v2 |
| ef:activity/change/20260821T1302361922970000/11355 | synonyms | ef:agent/bootstrap_labels | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v2 | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v3 |
| ef:activity/change/20260821T1302361922970000/44158 | context | ef:agent/default_context_mapping | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v3 | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v4 |
| ef:activity/change/20260821T1302361922970000/44159 | context_iri | ef:agent/default_context_mapping | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v4 | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v5 |
| ef:activity/change/20260821T1302361922970000/217102 | unit_iri | ef:agent/unit_normalization | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v5 | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v6 |
| ef:activity/change/20260821T1302361922970000/223743 | prefLabel | ef:agent/normalize_name_case | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v6 | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v7 |
| ef:activity/change/20260821T1302361922970000/237975 | properties | ef:agent/enrich_references | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v7 | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v8 |
| ef:activity/change/20260821T1302361922970000/237976 | skos_definition | ef:agent/enrich_references | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v8 | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v9 |
| ef:activity/change/20260821T1302361922970000/237977 | references | ef:agent/enrich_references | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v9 | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v10 |
| ef:activity/change/20260821T1302361922970000/251417 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v10 | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v11 |
| ef:activity/change/20260821T1302361922970000/261815 | altLabel | ef:agent/consensus_match | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v11 | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v12 |
| ef:activity/change/20260821T1302361922970000/261816 | cas_match_labels | ef:agent/consensus_match | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v12 | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v13 |
| ef:activity/change/20260821T1302361922970000/283218 | properties | ef:agent/rdkit_post_consensus | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v13 | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v14 |
| ef:activity/change/20260821T1302361922970000/303105 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v14 | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v15 |
| ef:activity/change/20260821T1302361922970000/390953 | properties | ef:agent/normalise_property_values | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v15 | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v16 |
| ef:activity/change/20260821T1302361922970000/398791 | types | ef:agent/link_flows_to_their_substance | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v16 | ef:flow/0d0ca7d9-111c-46a8-88c1-c5de31800233/v17 |