Methyl 3,7-diacetoxy-12-oxocholan-24-oate
Everything that changed this flow. Back to the flow
3ecb148e-78e0-4083-ba41-efc05e42868b
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 |
| 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=methyl3,7-diacetoxy-12-oxocholan-24-oate||dimension=Environmental > media=Water > water_body=Unknown; cas=28535-81-1; added Common Chemistry CAS names as altLabel: 3α,7α-Diacetoxy-12-oxo-5β-cholan-24-oic acid methyl ester, 5β-Cholan-24-oic acid, 3α,7α-dihydroxy-12-oxo-, methyl ester, diacetate, 5β-Cholanic acid, 3α,7α-dihydroxy-12-oxo-, methyl ester, diacetate, Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-oxo-, methyl ester, (3α,5β,7α)-, Methyl (3α,5β,7α)-3,7-bis(acetyloxy)-12-oxocholan-24-oate, Methyl 3α,7α-diacetoxy-12-oxo-5β-cholan-24-oate, Methyl 3α,7α-diacetoxy-12-oxo-5β-cholanate; object_uuid=fo-14ad42d92cf79bf4 |
| cas_match_labels | 1 | consensus_match | group_key=methyl3,7-diacetoxy-12-oxocholan-24-oate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'28535-81-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-14ad42d92cf79bf4: {'28535-81-1': '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=['28535-81-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[119834, 233655, 10553555]; selected_pubchem_cids=[10553555]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 12,133 | bootstrap_labels | prefLabel | — | [{"@value":"methyl 3,7-diacetoxy-12-oxocholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Bootstrapped prefLabel from legacy name field |
| 12,134 | bootstrap_labels | name | methyl 3,7-diacetoxy-12-oxocholan-24-oate | — | Purged legacy name field to enforce prefLabel usage |
| 12,135 | bootstrap_labels | synonyms | ["methyl3-î±,7-î±-diacetoxy-12-oxo-5-î²-cholan-24-oate","methyl3,7-diacetoxy-12-oxocholan-24-oate","methyl4-[5,9-bis(ac… | [] | Removed legacy synonyms field in favor of structured labels |
| 78,854 | 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 |
| 78,855 | 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 |
| 217,357 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,900 | normalize_name_case | prefLabel | [{"@value":"methyl 3,7-diacetoxy-12-oxocholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | [{"@value":"Methyl 3,7-diacetoxy-12-oxocholan-24-oate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,712 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H44O7"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,713 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,714 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J130.604I","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['28535-81-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[119834, 233655, 10553555]; selected_pubchem_cids=[10553555]; 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 |
| 251,631 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H44O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H44O7"]… | rdkit_pre_consensus from 'CC(CCC(=O)OC)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)OC(=O)C)C)OC(=O)C)C'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 268,730 | consensus_match | altLabel | [] | [{"@value":"3α,7α-Diacetoxy-12-oxo-5β-cholan-24-oic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy"… | group_key=methyl3,7-diacetoxy-12-oxocholan-24-oate||dimension=Environmental > media=Water > water_body=Unknown; cas=28535-81-1; added Common Chemistry CAS names as altLabel: 3α,7α-Diacetoxy-12-oxo-5β-cholan-24-oic acid methyl ester, 5β-Cholan-24-oic acid, 3α,7α-dihydroxy-12-oxo-, methyl ester, diacetate, 5β-Cholanic acid, 3α,7α-dihydroxy-12-oxo-, methyl ester, diacetate, Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-oxo-, methyl ester, (3α,5β,7α)-, Methyl (3α,5β,7α)-3,7-bis(acetyloxy)-12-oxocholan-24-oate, Methyl 3α,7α-diacetoxy-12-oxo-5β-cholan-24-oate, Methyl 3α,7α-diacetoxy-12-oxo-5β-cholanate; object_uuid=fo-14ad42d92cf79bf4 |
| 268,731 | consensus_match | cas_match_labels | — | {"28535-81-1":"exactMatch"} | group_key=methyl3,7-diacetoxy-12-oxocholan-24-oate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'28535-81-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-14ad42d92cf79bf4: {'28535-81-1': 'exactMatch'} |
| 276,810 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H44O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H44O7"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3α,7α-Diacetoxy-12-oxo-5β-cholan-24-oic acid methyl ester' |
| 283,453 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H44O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H44O7"]… | 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]3CC(=O)[C@]12C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 320,441 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3ecb148e-78e0-… | associations resolved on the elementary layer |
| 391,169 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H44O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H44O7"]… | typed the way the ontology types it |
| 399,088 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 399,089 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H44O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H44O7"]… | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260822T0600486828500000/12133 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v0 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v1 |
| ef:activity/change/20260822T0600486828500000/12134 | name | ef:agent/bootstrap_labels | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v1 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v2 |
| ef:activity/change/20260822T0600486828500000/12135 | synonyms | ef:agent/bootstrap_labels | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v2 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v3 |
| ef:activity/change/20260822T0600486828500000/78854 | context | ef:agent/default_context_mapping | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v3 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v4 |
| ef:activity/change/20260822T0600486828500000/78855 | context_iri | ef:agent/default_context_mapping | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v4 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v5 |
| ef:activity/change/20260822T0600486828500000/217357 | unit_iri | ef:agent/unit_normalization | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v5 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v6 |
| ef:activity/change/20260822T0600486828500000/223900 | prefLabel | ef:agent/normalize_name_case | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v6 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v7 |
| ef:activity/change/20260822T0600486828500000/238712 | properties | ef:agent/enrich_references | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v7 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v8 |
| ef:activity/change/20260822T0600486828500000/238713 | skos_definition | ef:agent/enrich_references | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v8 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v9 |
| ef:activity/change/20260822T0600486828500000/238714 | references | ef:agent/enrich_references | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v9 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v10 |
| ef:activity/change/20260822T0600486828500000/251631 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v10 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v11 |
| ef:activity/change/20260822T0600486828500000/268730 | altLabel | ef:agent/consensus_match | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v11 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v12 |
| ef:activity/change/20260822T0600486828500000/268731 | cas_match_labels | ef:agent/consensus_match | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v12 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v13 |
| ef:activity/change/20260822T0600486828500000/276810 | properties | ef:agent/opsin_iupac | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v13 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v14 |
| ef:activity/change/20260822T0600486828500000/283453 | properties | ef:agent/rdkit_post_consensus | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v14 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v15 |
| ef:activity/change/20260822T0600486828500000/320441 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v15 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v16 |
| ef:activity/change/20260822T0600486828500000/391169 | properties | ef:agent/normalise_property_values | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v16 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v17 |
| ef:activity/change/20260822T0600486828500000/399088 | types | ef:agent/link_flows_to_their_substance | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v17 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v18 |
| ef:activity/change/20260822T0600486828500000/399089 | properties | ef:agent/link_flows_to_their_substance | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v18 | ef:flow/3ecb148e-78e0-4083-ba41-efc05e42868b/v19 |