Methyl 3,7-diacetoxy-12-hydroxycholan-24-oate
Everything that changed this flow. Back to the flow
572d9122-4dcb-44f8-b669-99fca8c67c53
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'3749-87-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b10ca8f7c4ffdcb7: {'3749-87-9': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['3749-87-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[107458, 566830, 620186]; selected_pubchem_cids=[107458]; 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 |
|---|---|---|---|---|---|
| 2,883 | bootstrap_labels | prefLabel | — | [{"@value":"methyl 3,7-diacetoxy-12-hydroxycholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_… | Bootstrapped prefLabel from legacy name field |
| 2,884 | bootstrap_labels | name | methyl 3,7-diacetoxy-12-hydroxycholan-24-oate | — | Purged legacy name field to enforce prefLabel usage |
| 2,885 | bootstrap_labels | synonyms | ["methyl3-î±,7-î±-diacetoxy-12-î±-hydroxy-5-î²-cholan-24-oate","methyl3,7-diacetoxy-12-hydroxycholan-24-oate","methyl4-… | [] | Removed legacy synonyms field in favor of structured labels |
| 101,582 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 101,583 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 214,300 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,748 | normalize_name_case | prefLabel | [{"@value":"methyl 3,7-diacetoxy-12-hydroxycholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_… | [{"@value":"Methyl 3,7-diacetoxy-12-hydroxycholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,952 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H46O7"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,953 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,954 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J28.126C","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['3749-87-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[107458, 566830, 620186]; selected_pubchem_cids=[107458]; 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 |
| 249,117 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H46O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H46O7"]… | rdkit_pre_consensus from 'CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OC(=O)C)C)OC(=O)C)O)C'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 268,728 | consensus_match | altLabel | [] | [{"@value":"3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester","@language":"en","source":{"prov:wasGenerat… | group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; cas=3749-87-9; added Common Chemistry CAS names as altLabel: 3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester, Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-, Cholic acid, methyl ester, 3,7-diacetate, Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate, Methyl 3,7-di-<em>O</em>-acetylcholate; object_uuid=fo-b10ca8f7c4ffdcb7 |
| 268,729 | consensus_match | cas_match_labels | — | {"3749-87-9":"exactMatch"} | group_key=methyl3,7-diacetoxy-12-hydroxycholan-24-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'3749-87-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b10ca8f7c4ffdcb7: {'3749-87-9': 'exactMatch'} |
| 274,234 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H46O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H46O7"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester' |
| 280,661 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H46O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H46O7"]… | rdkit_post_consensus from 'COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,136 | dedupe_altlabels | altLabel | [{"@value":"3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester","@language":"en","source":{"prov:wasGenerat… | [{"@value":"3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester","@language":"en","source":{"prov:wasGenerat… | Deduplicated altLabel values and removed entries matching prefLabel |
| 331,788 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/572d9122-4dcb-… | associations resolved on the elementary layer |
| 388,531 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H46O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H46O7"]… | typed the way the ontology types it |
| 395,298 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 395,299 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H46O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H46O7"]… | 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/20260822T0600486828500000/2883 | prefLabel | ef:agent/bootstrap_labels | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v0 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v1 |
| ef:activity/change/20260822T0600486828500000/2884 | name | ef:agent/bootstrap_labels | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v1 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v2 |
| ef:activity/change/20260822T0600486828500000/2885 | synonyms | ef:agent/bootstrap_labels | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v2 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v3 |
| ef:activity/change/20260822T0600486828500000/101582 | context | ef:agent/default_context_mapping | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v3 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v4 |
| ef:activity/change/20260822T0600486828500000/101583 | context_iri | ef:agent/default_context_mapping | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v4 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v5 |
| ef:activity/change/20260822T0600486828500000/214300 | unit_iri | ef:agent/unit_normalization | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v5 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v6 |
| ef:activity/change/20260822T0600486828500000/221748 | prefLabel | ef:agent/normalize_name_case | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v6 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v7 |
| ef:activity/change/20260822T0600486828500000/229952 | properties | ef:agent/enrich_references | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v7 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v8 |
| ef:activity/change/20260822T0600486828500000/229953 | skos_definition | ef:agent/enrich_references | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v8 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v9 |
| ef:activity/change/20260822T0600486828500000/229954 | references | ef:agent/enrich_references | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v9 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v10 |
| ef:activity/change/20260822T0600486828500000/249117 | properties | ef:agent/rdkit_pre_consensus | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v10 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v11 |
| ef:activity/change/20260822T0600486828500000/268728 | altLabel | ef:agent/consensus_match | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v11 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v12 |
| ef:activity/change/20260822T0600486828500000/268729 | cas_match_labels | ef:agent/consensus_match | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v12 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v13 |
| ef:activity/change/20260822T0600486828500000/274234 | properties | ef:agent/opsin_iupac | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v13 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v14 |
| ef:activity/change/20260822T0600486828500000/280661 | properties | ef:agent/rdkit_post_consensus | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v14 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v15 |
| ef:activity/change/20260822T0600486828500000/292136 | altLabel | ef:agent/dedupe_altlabels | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v15 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v16 |
| ef:activity/change/20260822T0600486828500000/331788 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v16 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v17 |
| ef:activity/change/20260822T0600486828500000/388531 | properties | ef:agent/normalise_property_values | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v17 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v18 |
| ef:activity/change/20260822T0600486828500000/395298 | types | ef:agent/link_flows_to_their_substance | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v18 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v19 |
| ef:activity/change/20260822T0600486828500000/395299 | properties | ef:agent/link_flows_to_their_substance | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v19 | ef:flow/572d9122-4dcb-44f8-b669-99fca8c67c53/v20 |