Androstan-3,17-diol,2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, 17-acetate (2α,3α,5α,16α,17β)-
Everything that changed this flow. Back to the flow
e03c6d2e-aa38-4876-ae37-87a0dcf4485f
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'Org 20860' (grade 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=androstan-3,17-diol,2-(4-morpholinyl)-16-(1-pyrrolidinyl)-,17-acetate(2α,3α,5α,16α,17β)-||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'119302-24-8': []}; assigned CAS labels from group consensus; object_uuid=fo-eb4f2c3640485079: {'119302-24-8': '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=['119302-24-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[16064933, 19870362, 118675376, 126969361, 133109013, 137705995, 145706042]; selected_pubchem_cids=[16064933]; 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 |
|---|---|---|---|---|---|
| 19,193 | bootstrap_labels | prefLabel | — | [{"@value":"androstan-3,17-diol,2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, 17-acetate (2α,3α,5α,16α,17β)-","@language":"en… | Bootstrapped prefLabel from legacy name field |
| 19,194 | bootstrap_labels | name | androstan-3,17-diol,2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, 17-acetate (2α,3α,5α,16α,17β)- | — | Purged legacy name field to enforce prefLabel usage |
| 19,195 | bootstrap_labels | synonyms | ["organic","androstane-3,17-diol,2-(4-morpholinyl)-16-(1-pyrrolidinyl)-,17-acetate,(2î²,3î±,5î±,16î²,17î²)-","pymorolac… | [] | Removed legacy synonyms field in favor of structured labels |
| 183,345 | 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 |
| 183,346 | 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 |
| 219,596 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,463 | normalize_name_case | prefLabel | [{"@value":"androstan-3,17-diol,2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, 17-acetate (2α,3α,5α,16α,17β)-","@language":"en… | [{"@value":"Androstan-3,17-diol,2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, 17-acetate (2α,3α,5α,16α,17β)-","@language":"en… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,044 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H48N2O4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,045 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,046 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.116.905","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['119302-24-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[16064933, 19870362, 118675376, 126969361, 133109013, 137705995, 145706042]; selected_pubchem_cids=[16064933]; 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 |
| 253,468 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H48N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H48N2O4… | rdkit_pre_consensus from 'CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)N6CCCC6'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 263,880 | consensus_match | altLabel | [] | [{"@value":"(2b,3a,5a,16b,17b)-17-Acetoxy-3-hydroxy-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane","@language":"en","… | group_key=androstan-3,17-diol,2-(4-morpholinyl)-16-(1-pyrrolidinyl)-,17-acetate(2α,3α,5α,16α,17β)-||dimension=Environmental > media=Air > indoor=Unknown; cas=119302-24-8; added Common Chemistry CAS names as altLabel: (2b,3a,5a,16b,17b)-17-Acetoxy-3-hydroxy-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane, (2β,3α,5α,16β,17β)-17-Acetoxy-3-hydroxy-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane, (2β,3α,5α,16β,17β)-2-(4-Morpholinyl)-16-(pyrrolidin-1-yl)androstane-3,17-diol 17-acetate, 2β-(4-Morpholinyl)-16β-(1-pyrrolidinyl)-5α-androstane-3α,17β-diol 17-acetate, Androstane-3,17-diol, 2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, 17-acetate, (2β,3α,5α,16β,17β)-, Org 20860; object_uuid=fo-eb4f2c3640485079 |
| 263,881 | consensus_match | cas_match_labels | — | {"119302-24-8":"exactMatch"} | group_key=androstan-3,17-diol,2-(4-morpholinyl)-16-(1-pyrrolidinyl)-,17-acetate(2α,3α,5α,16α,17β)-||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'119302-24-8': []}; assigned CAS labels from group consensus; object_uuid=fo-eb4f2c3640485079: {'119302-24-8': 'exactMatch'} |
| 278,685 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H48N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H48N2O4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(2b,3a,5a,16b,17b)-17-Acetoxy-3-hydroxy-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane' |
| 285,465 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H48N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H48N2O4… | rdkit_post_consensus from 'CC(=O)O[C@H]1[C@@H](N2CCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCOCC5)C[C@]4(C)[C@H]3CC[C@@]21C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,131 | strip_catalogue_altlabels | altLabel | [{"@value":"(2b,3a,5a,16b,17b)-17-Acetoxy-3-hydroxy-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane","@language":"en","… | [{"@value":"(2b,3a,5a,16b,17b)-17-Acetoxy-3-hydroxy-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane","@language":"en","… | Removed 1 catalogue altLabel value(s): 'Org 20860' (grade code) |
| 372,731 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e03c6d2e-aa38-… | associations resolved on the elementary layer |
| 393,077 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H48N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H48N2O4… | typed the way the ontology types it |
| 401,837 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 401,838 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H48N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H48N2O4… | 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/20261019T0712047113160000/19193 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v0 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v1 |
| ef:activity/change/20261019T0712047113160000/19194 | name | ef:agent/bootstrap_labels | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v1 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v2 |
| ef:activity/change/20261019T0712047113160000/19195 | synonyms | ef:agent/bootstrap_labels | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v2 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v3 |
| ef:activity/change/20261019T0712047113160000/183345 | context | ef:agent/default_context_mapping | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v3 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v4 |
| ef:activity/change/20261019T0712047113160000/183346 | context_iri | ef:agent/default_context_mapping | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v4 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v5 |
| ef:activity/change/20261019T0712047113160000/219596 | unit_iri | ef:agent/unit_normalization | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v5 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v6 |
| ef:activity/change/20261019T0712047113160000/225463 | prefLabel | ef:agent/normalize_name_case | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v6 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v7 |
| ef:activity/change/20261019T0712047113160000/245044 | properties | ef:agent/enrich_references | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v7 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v8 |
| ef:activity/change/20261019T0712047113160000/245045 | skos_definition | ef:agent/enrich_references | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v8 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v9 |
| ef:activity/change/20261019T0712047113160000/245046 | references | ef:agent/enrich_references | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v9 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v10 |
| ef:activity/change/20261019T0712047113160000/253468 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v10 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v11 |
| ef:activity/change/20261019T0712047113160000/263880 | altLabel | ef:agent/consensus_match | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v11 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v12 |
| ef:activity/change/20261019T0712047113160000/263881 | cas_match_labels | ef:agent/consensus_match | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v12 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v13 |
| ef:activity/change/20261019T0712047113160000/278685 | properties | ef:agent/opsin_iupac | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v13 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v14 |
| ef:activity/change/20261019T0712047113160000/285465 | properties | ef:agent/rdkit_post_consensus | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v14 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v15 |
| ef:activity/change/20261019T0712047113160000/291131 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v15 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v16 |
| ef:activity/change/20261019T0712047113160000/372731 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v16 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v17 |
| ef:activity/change/20261019T0712047113160000/393077 | properties | ef:agent/normalise_property_values | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v17 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v18 |
| ef:activity/change/20261019T0712047113160000/401837 | types | ef:agent/link_flows_to_their_substance | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v18 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v19 |
| ef:activity/change/20261019T0712047113160000/401838 | properties | ef:agent/link_flows_to_their_substance | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v19 | ef:flow/e03c6d2e-aa38-4876-ae37-87a0dcf4485f/v20 |