Isooctyldinitrophenol
Everything that changed this flow. Back to the flow
e13d1083-465a-4328-985f-d2f3d62dd4ea
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes 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=isooctyldinitrophenol||dimension=Environmental > media=Water > water_body=Unknown; cas=37224-61-6; added Common Chemistry CAS names as altLabel: Phenol, isooctyldinitro-; object_uuid=fo-7f4a7f86909993fa |
| cas_match_labels | 1 | consensus_match | group_key=isooctyldinitrophenol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'37224-61-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f4a7f86909993fa: {'37224-61-6': '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 air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['37224-61-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[23046587, 73555759]; selected_pubchem_cids=[23046587, 73555759]; 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 |
|---|---|---|---|---|---|
| 18,442 | bootstrap_labels | prefLabel | — | [{"@value":"isooctyldinitrophenol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 18,443 | bootstrap_labels | name | isooctyldinitrophenol | — | Purged legacy name field to enforce prefLabel usage |
| 18,444 | bootstrap_labels | synonyms | ["organic","isooctyldinitrophenol","dncp"] | [] | Removed legacy synonyms field in favor of structured labels |
| 183,922 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 183,923 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 219,367 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,296 | normalize_name_case | prefLabel | [{"@value":"isooctyldinitrophenol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"Isooctyldinitrophenol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,407 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20N2O5… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 244,408 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,409 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.048.538","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['37224-61-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[23046587, 73555759]; selected_pubchem_cids=[23046587, 73555759]; 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 |
| 253,282 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20N2O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20N2O5… | rdkit_pre_consensus from 'CC(C)CCCCCC1=C(C=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 268,132 | consensus_match | altLabel | [] | [{"@value":"Phenol, isooctyldinitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | group_key=isooctyldinitrophenol||dimension=Environmental > media=Water > water_body=Unknown; cas=37224-61-6; added Common Chemistry CAS names as altLabel: Phenol, isooctyldinitro-; object_uuid=fo-7f4a7f86909993fa |
| 268,133 | consensus_match | cas_match_labels | — | {"37224-61-6":"exactMatch"} | group_key=isooctyldinitrophenol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'37224-61-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f4a7f86909993fa: {'37224-61-6': 'exactMatch'} |
| 278,492 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20N2O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20N2O5… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isooctyldinitrophenol' |
| 285,258 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20N2O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20N2O5… | rdkit_post_consensus from 'CC(C)CCCCCc1ccc(O)c([N+](=O)[O-])c1[N+](=O)[O-]'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,126 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20N2O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20N2O5… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes it |
| 372,988 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e13d1083-465a-… | associations resolved on the elementary layer |
| 401,528 | 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/20260822T0600486828500000/18442 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v0 | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v1 |
| ef:activity/change/20260822T0600486828500000/18443 | name | ef:agent/bootstrap_labels | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v1 | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v2 |
| ef:activity/change/20260822T0600486828500000/18444 | synonyms | ef:agent/bootstrap_labels | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v2 | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v3 |
| ef:activity/change/20260822T0600486828500000/183922 | context | ef:agent/default_context_mapping | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v3 | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v4 |
| ef:activity/change/20260822T0600486828500000/183923 | context_iri | ef:agent/default_context_mapping | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v4 | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v5 |
| ef:activity/change/20260822T0600486828500000/219367 | unit_iri | ef:agent/unit_normalization | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v5 | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v6 |
| ef:activity/change/20260822T0600486828500000/225296 | prefLabel | ef:agent/normalize_name_case | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v6 | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v7 |
| ef:activity/change/20260822T0600486828500000/244407 | properties | ef:agent/enrich_references | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v7 | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v8 |
| ef:activity/change/20260822T0600486828500000/244408 | skos_definition | ef:agent/enrich_references | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v8 | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v9 |
| ef:activity/change/20260822T0600486828500000/244409 | references | ef:agent/enrich_references | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v9 | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v10 |
| ef:activity/change/20260822T0600486828500000/253282 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v10 | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v11 |
| ef:activity/change/20260822T0600486828500000/268132 | altLabel | ef:agent/consensus_match | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v11 | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v12 |
| ef:activity/change/20260822T0600486828500000/268133 | cas_match_labels | ef:agent/consensus_match | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v12 | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v13 |
| ef:activity/change/20260822T0600486828500000/278492 | properties | ef:agent/opsin_iupac | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v13 | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v14 |
| ef:activity/change/20260822T0600486828500000/285258 | properties | ef:agent/rdkit_post_consensus | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v14 | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v15 |
| ef:activity/change/20260822T0600486828500000/287126 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v15 | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v16 |
| ef:activity/change/20260822T0600486828500000/372988 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v16 | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v17 |
| ef:activity/change/20260822T0600486828500000/401528 | types | ef:agent/link_flows_to_their_substance | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v17 | ef:flow/e13d1083-465a-4328-985f-d2f3d62dd4ea/v18 |