Venlafaxine
Everything that changed this flow. Back to the flow
0ea632ed-692d-47c4-bbcd-1aa7b976a3a8
By field
14 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 | group_key=1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol||dimension=Environmental > media=Ground > geography=Agricultural; cas=93413-69-5; added Common Chemistry CAS names as altLabel: (±)-Venlafaxine, 1-[2-Dimethylamino(4-methoxyphenyl)ethyl] cyclohexanol, Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-, Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-, (±)-, Kanghong, Trevilor, Velafax, Venlafaxin, Venlafaxine XR, Venlafexine, Venlor; object_uuid=fo-950137b8b80bc089 |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=93413-69-5; cc_chebi_agreed_name='Venlafaxine'; object_uuid=fo-950137b8b80bc089 |
| cas_match_labels | 1 | consensus_match | group_key=1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'93413-69-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-950137b8b80bc089: {'93413-69-5': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['93413-69-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_9943']; candidate_pubchem_cids=[5656, 62923, 9795623, 11846746, 45040682, 45357960, 91873624]; selected_pubchem_cids=[5656]; 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 |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| 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 |
|---|---|---|---|---|---|
| 6,241 | bootstrap_labels | prefLabel | — | [{"@value":"1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol","@language":"en","source":{"prov:wasGeneratedBy… | Bootstrapped prefLabel from legacy name field |
| 6,242 | bootstrap_labels | name | 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol | — | Purged legacy name field to enforce prefLabel usage |
| 6,243 | bootstrap_labels | synonyms | ["organic","cyclohexanol,1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-othernamesvenlafaxine"] | [] | Removed legacy synonyms field in favor of structured labels |
| 46,034 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 46,035 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 215,425 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 233,182 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H27NO2"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,183 | enrich_references | skos_definition | — | [{"@value":"A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,184 | enrich_references | references | [] | [{"@id":"drugcentral:2813","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['93413-69-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_9943']; candidate_pubchem_cids=[5656, 62923, 9795623, 11846746, 45040682, 45357960, 91873624]; selected_pubchem_cids=[5656]; 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 |
| 250,047 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H27NO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H27NO2"… | rdkit_pre_consensus from 'CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O'; added: monoisotopic_mass |
| 255,156 | chebi_altlabels | altLabel | [] | [{"@value":"Elafax","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 258,945 | consensus_match | prefLabel | [{"@value":"1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol","@language":"en","source":{"prov:wasGeneratedBy… | [{"@value":"Venlafaxine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"con… | cas=93413-69-5; cc_chebi_agreed_name='Venlafaxine'; object_uuid=fo-950137b8b80bc089 |
| 258,946 | consensus_match | altLabel | [{"@value":"Elafax","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | [{"@value":"Elafax","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | cas=93413-69-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-950137b8b80bc089 |
| 258,947 | consensus_match | altLabel | [{"@value":"Elafax","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | [{"@value":"Elafax","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | group_key=1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol||dimension=Environmental > media=Ground > geography=Agricultural; cas=93413-69-5; added Common Chemistry CAS names as altLabel: (±)-Venlafaxine, 1-[2-Dimethylamino(4-methoxyphenyl)ethyl] cyclohexanol, Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-, Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-, (±)-, Kanghong, Trevilor, Velafax, Venlafaxin, Venlafaxine XR, Venlafexine, Venlor; object_uuid=fo-950137b8b80bc089 |
| 258,948 | consensus_match | cas_match_labels | — | {"93413-69-5":"exactMatch"} | group_key=1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'93413-69-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-950137b8b80bc089: {'93413-69-5': 'exactMatch'} |
| 275,185 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H27NO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H27NO2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol' |
| 281,683 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H27NO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H27NO2"… | rdkit_post_consensus from 'COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 304,043 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0ea632ed-692d-… | associations resolved on the elementary layer |
| 389,485 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H27NO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H27NO2"… | typed the way the ontology types it |
| 396,662 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 396,663 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_78298","rdfs:label":"environmental contaminant","http://www.w3.org/2004/0… | 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/20260821T1302361922970000/6241 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v0 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v1 |
| ef:activity/change/20260821T1302361922970000/6242 | name | ef:agent/bootstrap_labels | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v1 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v2 |
| ef:activity/change/20260821T1302361922970000/6243 | synonyms | ef:agent/bootstrap_labels | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v2 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v3 |
| ef:activity/change/20260821T1302361922970000/46034 | context | ef:agent/default_context_mapping | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v3 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v4 |
| ef:activity/change/20260821T1302361922970000/46035 | context_iri | ef:agent/default_context_mapping | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v4 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v5 |
| ef:activity/change/20260821T1302361922970000/215425 | unit_iri | ef:agent/unit_normalization | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v5 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v6 |
| ef:activity/change/20260821T1302361922970000/233182 | properties | ef:agent/enrich_references | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v6 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v7 |
| ef:activity/change/20260821T1302361922970000/233183 | skos_definition | ef:agent/enrich_references | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v7 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v8 |
| ef:activity/change/20260821T1302361922970000/233184 | references | ef:agent/enrich_references | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v8 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v9 |
| ef:activity/change/20260821T1302361922970000/250047 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v9 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v10 |
| ef:activity/change/20260821T1302361922970000/255156 | altLabel | ef:agent/chebi_altlabels | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v10 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v11 |
| ef:activity/change/20260821T1302361922970000/258945 | prefLabel | ef:agent/consensus_match | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v11 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v12 |
| ef:activity/change/20260821T1302361922970000/258946 | altLabel | ef:agent/consensus_match | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v12 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v13 |
| ef:activity/change/20260821T1302361922970000/258947 | altLabel | ef:agent/consensus_match | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v13 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v14 |
| ef:activity/change/20260821T1302361922970000/258948 | cas_match_labels | ef:agent/consensus_match | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v14 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v15 |
| ef:activity/change/20260821T1302361922970000/275185 | properties | ef:agent/opsin_iupac | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v15 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v16 |
| ef:activity/change/20260821T1302361922970000/281683 | properties | ef:agent/rdkit_post_consensus | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v16 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v17 |
| ef:activity/change/20260821T1302361922970000/304043 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v17 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v18 |
| ef:activity/change/20260821T1302361922970000/389485 | properties | ef:agent/normalise_property_values | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v18 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v19 |
| ef:activity/change/20260821T1302361922970000/396662 | types | ef:agent/link_flows_to_their_substance | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v19 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v20 |
| ef:activity/change/20260821T1302361922970000/396663 | roles | ef:agent/link_flows_to_their_substance | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v20 | ef:flow/0ea632ed-692d-47c4-bbcd-1aa7b976a3a8/v21 |