5-nitroindole
Everything that changed this flow. Back to the flow
ddfd5726-f90a-47d6-b055-5b0cf07b2b27
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 520594' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=5-nitroindole||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6146-52-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-353fc7c8bacdbeac: {'6146-52-7': '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 air > Emissions to non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['6146-52-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[22523, 49759111, 73553961]; selected_pubchem_cids=[22523]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 21,164 | bootstrap_labels | prefLabel | — | [{"@value":"5-nitroindole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 21,165 | bootstrap_labels | name | 5-nitroindole | — | Purged legacy name field to enforce prefLabel usage |
| 21,166 | bootstrap_labels | synonyms | ["1H-Indole, 5-nitro-","1H-Indole, 5-nitro- (9CI)","5-Nitro-1H-indole","5-nitro indole","AB1003017","AC-7395","AC1L2KJH… | [] | Removed legacy synonyms field in favor of structured labels |
| 182,074 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 182,075 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 220,148 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 246,603 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6N2O2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,604 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,605 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.242J","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['6146-52-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[22523, 49759111, 73553961]; selected_pubchem_cids=[22523]; 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 |
| 253,927 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6N2O2"]… | rdkit_pre_consensus from 'C1=CC2=C(C=CN2)C=C1[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 263,148 | consensus_match | altLabel | [] | [{"@value":"1<em>H</em>-Indole, 5-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | group_key=5-nitroindole||dimension=Environmental > media=Water > water_body=Long-term; cas=6146-52-7; added Common Chemistry CAS names as altLabel: 1<em>H</em>-Indole, 5-nitro-, 5-Nitro-1<em>H</em>-indole, Indole, 5-nitro-, NSC 520594; object_uuid=fo-353fc7c8bacdbeac |
| 263,149 | consensus_match | cas_match_labels | — | {"6146-52-7":"exactMatch"} | group_key=5-nitroindole||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6146-52-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-353fc7c8bacdbeac: {'6146-52-7': 'exactMatch'} |
| 279,114 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6N2O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '5-nitroindole' |
| 285,965 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6N2O2"]… | rdkit_post_consensus from 'O=[N+]([O-])c1ccc2[nH]ccc2c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,427 | strip_catalogue_altlabels | altLabel | [{"@value":"1<em>H</em>-Indole, 5-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | [{"@value":"1H-Indole, 5-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributed… | Removed 1 catalogue altLabel value(s): 'NSC 520594' (registry code) |
| 372,063 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ddfd5726-f90a-… | associations resolved on the elementary layer |
| 393,506 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6N2O2"]… | typed the way the ontology types it |
| 402,511 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1554374006150000/21164 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v0 | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v1 |
| ef:activity/change/20260821T1554374006150000/21165 | name | ef:agent/bootstrap_labels | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v1 | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v2 |
| ef:activity/change/20260821T1554374006150000/21166 | synonyms | ef:agent/bootstrap_labels | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v2 | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v3 |
| ef:activity/change/20260821T1554374006150000/182074 | context | ef:agent/default_context_mapping | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v3 | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v4 |
| ef:activity/change/20260821T1554374006150000/182075 | context_iri | ef:agent/default_context_mapping | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v4 | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v5 |
| ef:activity/change/20260821T1554374006150000/220148 | unit_iri | ef:agent/unit_normalization | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v5 | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v6 |
| ef:activity/change/20260821T1554374006150000/246603 | properties | ef:agent/enrich_references | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v6 | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v7 |
| ef:activity/change/20260821T1554374006150000/246604 | skos_definition | ef:agent/enrich_references | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v7 | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v8 |
| ef:activity/change/20260821T1554374006150000/246605 | references | ef:agent/enrich_references | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v8 | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v9 |
| ef:activity/change/20260821T1554374006150000/253927 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v9 | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v10 |
| ef:activity/change/20260821T1554374006150000/263148 | altLabel | ef:agent/consensus_match | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v10 | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v11 |
| ef:activity/change/20260821T1554374006150000/263149 | cas_match_labels | ef:agent/consensus_match | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v11 | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v12 |
| ef:activity/change/20260821T1554374006150000/279114 | properties | ef:agent/opsin_iupac | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v12 | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v13 |
| ef:activity/change/20260821T1554374006150000/285965 | properties | ef:agent/rdkit_post_consensus | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v13 | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v14 |
| ef:activity/change/20260821T1554374006150000/291427 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v14 | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v15 |
| ef:activity/change/20260821T1554374006150000/372063 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v15 | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v16 |
| ef:activity/change/20260821T1554374006150000/393506 | properties | ef:agent/normalise_property_values | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v16 | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v17 |
| ef:activity/change/20260821T1554374006150000/402511 | types | ef:agent/link_flows_to_their_substance | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v17 | ef:flow/ddfd5726-f90a-47d6-b055-5b0cf07b2b27/v18 |