Methadone Hydrochloride
Everything that changed this flow. Back to the flow
4f67333b-2f64-4bb7-a014-521c933b386b
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'AN 148' (grade code), 'Hoechst 10820' (trade name), 'NSC 19600' (registry code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=methadonehydrochloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1095-90-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eb8e0a29cb4975ee: {'1095-90-5': '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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1095-90-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_50140']; candidate_pubchem_cids=[4095, 14184, 27177, 19933572, 23424049]; selected_pubchem_cids=[14184]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 1,507 | bootstrap_labels | prefLabel | — | [{"@value":"methadone hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 1,508 | bootstrap_labels | name | methadone hydrochloride | — | Purged legacy name field to enforce prefLabel usage |
| 1,509 | bootstrap_labels | synonyms | ["organic","methadonehydrochloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 97,156 | 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 |
| 97,157 | 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 |
| 213,838 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,436 | normalize_name_case | prefLabel | [{"@value":"methadone hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | [{"@value":"Methadone Hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,625 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H27NO.H… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 228,626 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,627 | enrich_references | references | [] | [{"@id":"beilstein:3919789","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['1095-90-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_50140']; candidate_pubchem_cids=[4095, 14184, 27177, 19933572, 23424049]; selected_pubchem_cids=[14184]; 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 |
| 248,732 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H27NO.H… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H27NO.H… | rdkit_pre_consensus from 'CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl'; added: monoisotopic_mass |
| 254,553 | chebi_altlabels | altLabel | [] | [{"@value":"(+-)-methadone hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,631 | consensus_match | altLabel | [{"@value":"(+-)-methadone hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"(+-)-methadone hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | group_key=methadonehydrochloride||dimension=Environmental > media=Air > indoor=Unknown; cas=1095-90-5; added Common Chemistry CAS names as altLabel: (±)-Methadone hydrochloride, (±)-Methodone hydrochloride, 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, hydrochloride, 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, hydrochloride (1:1), 4,4-Diphenyl-6-dimethylamino-3-heptanone hydrochloride, 4,4-Diphenyl-6-dimethylamino-3-heptanone hydrochloride (±)-, 6-Dimethylamino-4,4-diphenyl-3-heptanone hydrochloride, <em>dl</em>-6-Dimethylamino-4,4-diphenyl-3-heptanone hydrochloride, <span class="text-smallcaps">D</smallcap>,<smallcap>L</span>-Methadone hydrochloride, AN 148, Adanon, Adanon hydrochloride, Algidon, Amidon, Butalgin, Depridol, Diaminon hydrochloride, Dolofin hydrochloride, Dolophin hydrochloride, Dolophine, Fenadon, Fenadone, Hoechst 10820, Ketalgin, Ketalgin hydrochloride, Mecodin, Mephenon, Methadose, Miadone, Moheptan, NSC 19600, Polamidon, Racemic methadone hydrochloride; object_uuid=fo-eb8e0a29cb4975ee |
| 268,632 | consensus_match | cas_match_labels | — | {"1095-90-5":"exactMatch"} | group_key=methadonehydrochloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1095-90-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eb8e0a29cb4975ee: {'1095-90-5': 'exactMatch'} |
| 273,854 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H27NO.H… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H27NO.H… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '6-(dimethylamino)-4,4-diphenylheptan-3-one hydrochloride' |
| 280,246 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H27NO.H… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H27NO.H… | rdkit_post_consensus from 'CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,555 | strip_catalogue_altlabels | altLabel | [{"@value":"(+-)-methadone hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"(+-)-methadone hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Removed 3 catalogue altLabel value(s): 'AN 148' (grade code), 'Hoechst 10820' (trade name), 'NSC 19600' (registry code) |
| 329,575 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4f67333b-2f64-… | associations resolved on the elementary layer |
| 388,142 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H27NO.H… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H27NO.H… | typed the way the ontology types it |
| 394,757 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260822T0600486828500000/1507 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v0 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v1 |
| ef:activity/change/20260822T0600486828500000/1508 | name | ef:agent/bootstrap_labels | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v1 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v2 |
| ef:activity/change/20260822T0600486828500000/1509 | synonyms | ef:agent/bootstrap_labels | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v2 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v3 |
| ef:activity/change/20260822T0600486828500000/97156 | context | ef:agent/default_context_mapping | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v3 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v4 |
| ef:activity/change/20260822T0600486828500000/97157 | context_iri | ef:agent/default_context_mapping | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v4 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v5 |
| ef:activity/change/20260822T0600486828500000/213838 | unit_iri | ef:agent/unit_normalization | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v5 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v6 |
| ef:activity/change/20260822T0600486828500000/221436 | prefLabel | ef:agent/normalize_name_case | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v6 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v7 |
| ef:activity/change/20260822T0600486828500000/228625 | properties | ef:agent/enrich_references | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v7 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v8 |
| ef:activity/change/20260822T0600486828500000/228626 | skos_definition | ef:agent/enrich_references | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v8 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v9 |
| ef:activity/change/20260822T0600486828500000/228627 | references | ef:agent/enrich_references | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v9 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v10 |
| ef:activity/change/20260822T0600486828500000/248732 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v10 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v11 |
| ef:activity/change/20260822T0600486828500000/254553 | altLabel | ef:agent/chebi_altlabels | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v11 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v12 |
| ef:activity/change/20260822T0600486828500000/268631 | altLabel | ef:agent/consensus_match | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v12 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v13 |
| ef:activity/change/20260822T0600486828500000/268632 | cas_match_labels | ef:agent/consensus_match | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v13 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v14 |
| ef:activity/change/20260822T0600486828500000/273854 | properties | ef:agent/opsin_iupac | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v14 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v15 |
| ef:activity/change/20260822T0600486828500000/280246 | properties | ef:agent/rdkit_post_consensus | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v15 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v16 |
| ef:activity/change/20260822T0600486828500000/287555 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v16 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v17 |
| ef:activity/change/20260822T0600486828500000/329575 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v17 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v18 |
| ef:activity/change/20260822T0600486828500000/388142 | properties | ef:agent/normalise_property_values | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v18 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v19 |
| ef:activity/change/20260822T0600486828500000/394757 | types | ef:agent/link_flows_to_their_substance | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v19 | ef:flow/4f67333b-2f64-4bb7-a014-521c933b386b/v20 |