Methyl 3,7-diacetoxy-12-hydroxycholan-24-oate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-b10ca8f7c4ffdcb7
Changes
56| # | 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 |
| 27,974 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 27,975 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 57,782 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 57,783 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 86,256 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 86,257 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 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 |
| 117,112 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 117,113 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 142,876 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 142,877 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 143,420 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 143,421 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 144,314 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 144,315 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 146,992 | 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) |
| 146,993 | 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) |
| 158,862 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 158,863 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 162,548 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 162,549 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 184,110 | 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 |
| 184,111 | 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 |
| 193,396 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 193,397 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 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 |
| 295,031 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/039208b4-f925-… | associations resolved on the elementary layer |
| 309,913 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1f51513e-bec2-… | associations resolved on the elementary layer |
| 324,144 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4bec1e1d-91e8-… | associations resolved on the elementary layer |
| 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 |
| 339,555 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/711a6cbf-4c95-… | associations resolved on the elementary layer |
| 352,440 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9c75c40e-13c3-… | associations resolved on the elementary layer |
| 352,712 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9d61fc04-fc15-… | associations resolved on the elementary layer |
| 353,159 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9efa6fd5-3d49-… | associations resolved on the elementary layer |
| 354,518 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a342294e-4153-… | associations resolved on the elementary layer |
| 360,455 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b7b93de0-dbc7-… | associations resolved on the elementary layer |