5-Nitrovanillin
Everything that changed this flow. Back to the flow
ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 16932' (registry code), 'NSC 35352' (registry code) |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=6635-20-7; cc_chebi_agreed_name='5-Nitrovanillin'; 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'} |
| 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 water > Emissions to fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['6635-20-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_48385']; candidate_pubchem_cids=[81134, 194098, 3583651]; selected_pubchem_cids=[81134]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 465 | bootstrap_labels | prefLabel | — | [{"@value":"4-hydroxy-3-methoxy-5-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 466 | bootstrap_labels | name | 4-hydroxy-3-methoxy-5-nitrobenzaldehyde | — | Purged legacy name field to enforce prefLabel usage |
| 467 | bootstrap_labels | synonyms | ["organic","5-nitrovanillin","5-nitrovanillinothernames4-hydroxy-3-methoxy-5-nitrobenzaldehyde","benzaldehyde,4-hydroxy… | [] | Removed legacy synonyms field in favor of structured labels |
| 190,860 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 190,861 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 213,494 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,613 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO5"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,614 | enrich_references | skos_definition | — | [{"@value":"A member of the class of benzaldehydes that is vanillin in which the hydrogen ortho- to the hydroxy group i… | Merged ChEBI/PubChem definitions into skos:definition |
| 227,615 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J238K","provenance":{"prov:wasGeneratedBy":"enrich_references.… | Added references with provenance; cas_numbers=['6635-20-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_48385']; candidate_pubchem_cids=[81134, 194098, 3583651]; selected_pubchem_cids=[81134]; 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 |
| 248,441 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO5"],… | rdkit_pre_consensus from 'COC1=CC(=CC(=C1O)[N+](=O)[O-])C=O'; added: monoisotopic_mass |
| 254,443 | chebi_altlabels | altLabel | [] | [{"@value":"3-methoxy-4-hydroxy-5-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,765 | consensus_match | prefLabel | [{"@value":"4-hydroxy-3-methoxy-5-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | [{"@value":"5-Nitrovanillin","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":… | cas=6635-20-7; cc_chebi_agreed_name='5-Nitrovanillin'; object_uuid=fo-15a459f5b8288928 |
| 262,766 | consensus_match | altLabel | [{"@value":"3-methoxy-4-hydroxy-5-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | [{"@value":"3-methoxy-4-hydroxy-5-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | cas=6635-20-7; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-15a459f5b8288928 |
| 262,767 | consensus_match | altLabel | [{"@value":"3-methoxy-4-hydroxy-5-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | [{"@value":"3-methoxy-4-hydroxy-5-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | 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-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 |
| 262,768 | consensus_match | cas_match_labels | — | {"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'} |
| 273,583 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO5"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '5-Nitrovanillin' |
| 279,943 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO5"],… | rdkit_post_consensus from 'COc1cc(C=O)cc([N+](=O)[O-])c1O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,362 | strip_catalogue_altlabels | altLabel | [{"@value":"3-methoxy-4-hydroxy-5-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | [{"@value":"3-methoxy-4-hydroxy-5-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | Removed 2 catalogue altLabel value(s): 'NSC 16932' (registry code), 'NSC 35352' (registry code) |
| 376,482 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ebc7ce5a-ecca-… | associations resolved on the elementary layer |
| 387,860 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO5"],… | typed the way the ontology types it |
| 394,374 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260820T1555490862250000/465 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v0 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v1 |
| ef:activity/change/20260820T1555490862250000/466 | name | ef:agent/bootstrap_labels | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v1 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v2 |
| ef:activity/change/20260820T1555490862250000/467 | synonyms | ef:agent/bootstrap_labels | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v2 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v3 |
| ef:activity/change/20260820T1555490862250000/190860 | context | ef:agent/default_context_mapping | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v3 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v4 |
| ef:activity/change/20260820T1555490862250000/190861 | context_iri | ef:agent/default_context_mapping | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v4 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v5 |
| ef:activity/change/20260820T1555490862250000/213494 | unit_iri | ef:agent/unit_normalization | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v5 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v6 |
| ef:activity/change/20260820T1555490862250000/227613 | properties | ef:agent/enrich_references | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v6 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v7 |
| ef:activity/change/20260820T1555490862250000/227614 | skos_definition | ef:agent/enrich_references | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v7 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v8 |
| ef:activity/change/20260820T1555490862250000/227615 | references | ef:agent/enrich_references | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v8 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v9 |
| ef:activity/change/20260820T1555490862250000/248441 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v9 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v10 |
| ef:activity/change/20260820T1555490862250000/254443 | altLabel | ef:agent/chebi_altlabels | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v10 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v11 |
| ef:activity/change/20260820T1555490862250000/262765 | prefLabel | ef:agent/consensus_match | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v11 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v12 |
| ef:activity/change/20260820T1555490862250000/262766 | altLabel | ef:agent/consensus_match | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v12 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v13 |
| ef:activity/change/20260820T1555490862250000/262767 | altLabel | ef:agent/consensus_match | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v13 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v14 |
| ef:activity/change/20260820T1555490862250000/262768 | cas_match_labels | ef:agent/consensus_match | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v14 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v15 |
| ef:activity/change/20260820T1555490862250000/273583 | properties | ef:agent/opsin_iupac | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v15 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v16 |
| ef:activity/change/20260820T1555490862250000/279943 | properties | ef:agent/rdkit_post_consensus | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v16 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v17 |
| ef:activity/change/20260820T1555490862250000/287362 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v17 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v18 |
| ef:activity/change/20260820T1555490862250000/376482 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v18 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v19 |
| ef:activity/change/20260820T1555490862250000/387860 | properties | ef:agent/normalise_property_values | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v19 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v20 |
| ef:activity/change/20260820T1555490862250000/394374 | types | ef:agent/link_flows_to_their_substance | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v20 | ef:flow/ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91/v21 |