Trimethyl borate
Everything that changed this flow. Back to the flow
6290950e-0d51-4515-b832-ae848bef6181
By field
13 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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 777' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=121-43-7; cc_chebi_agreed_name='Trimethyl borate'; object_uuid=fo-aad1e91e3fae1477 |
| cas_match_labels | 1 | consensus_match | group_key=methylborate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'121-43-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aad1e91e3fae1477: {'121-43-7': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['121-43-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_38913']; candidate_pubchem_cids=[8470, 44726040, 77519508]; selected_pubchem_cids=[8470]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 1,612 | bootstrap_labels | prefLabel | — | [{"@value":"methyl borate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 1,613 | bootstrap_labels | name | methyl borate | — | Purged legacy name field to enforce prefLabel usage |
| 1,614 | bootstrap_labels | synonyms | ["trimethylborate","methyl borate","trimethyl borate","boric acid (h3bo3), trimethyl ester","methyl borateboric acid, (… | [] | Removed legacy synonyms field in favor of structured labels |
| 108,324 | 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 |
| 108,325 | 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 |
| 213,875 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,463 | normalize_name_case | prefLabel | [{"@value":"methyl borate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | [{"@value":"Methyl Borate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,731 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9BO3"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 228,732 | enrich_references | skos_definition | — | [{"@value":"A member of the class of borate esters obtained by the formal condensation of three equivalents of methanol… | Merged ChEBI/PubChem definitions into skos:definition |
| 228,733 | enrich_references | references | [] | [{"@id":"gmelin:2551","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"conse… | Added references with provenance; cas_numbers=['121-43-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_38913']; candidate_pubchem_cids=[8470, 44726040, 77519508]; selected_pubchem_cids=[8470]; 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 |
| 248,763 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9BO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9BO3"],… | rdkit_pre_consensus from 'B(OC)(OC)OC'; added: monoisotopic_mass |
| 254,565 | chebi_altlabels | altLabel | [] | [{"@value":"(MeO)3B","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,808 | consensus_match | prefLabel | [{"@value":"Methyl Borate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | [{"@value":"Trimethyl borate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo"… | cas=121-43-7; cc_chebi_agreed_name='Trimethyl borate'; object_uuid=fo-aad1e91e3fae1477 |
| 268,809 | consensus_match | altLabel | [{"@value":"(MeO)3B","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | [{"@value":"(MeO)3B","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | cas=121-43-7; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-aad1e91e3fae1477 |
| 268,810 | consensus_match | altLabel | [{"@value":"(MeO)3B","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | [{"@value":"(MeO)3B","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | group_key=methylborate||dimension=Environmental > media=Ground > geography=Unknown; cas=121-43-7; added Common Chemistry CAS names as altLabel: Borester O, Boric acid (H<sub>3</sub>BO<sub>3</sub>), trimethyl ester, Boric acid trimethyl ester, Boron trimethoxide, Methyl borate ((MeO)<sub>3</sub>B), NSC 777, TMB, TMB-R, Trimethoxyborine, Trimethylborate; object_uuid=fo-aad1e91e3fae1477 |
| 268,811 | consensus_match | cas_match_labels | — | {"121-43-7":"exactMatch"} | group_key=methylborate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'121-43-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aad1e91e3fae1477: {'121-43-7': 'exactMatch'} |
| 273,884 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9BO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9BO3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Trimethyl borate' |
| 280,274 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9BO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9BO3"],… | rdkit_post_consensus from 'COB(OC)OC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,569 | strip_catalogue_altlabels | altLabel | [{"@value":"(MeO)3B","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | [{"@value":"(MeO)3B","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | Removed 1 catalogue altLabel value(s): 'NSC 777' (registry code) |
| 335,153 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6290950e-0d51-… | associations resolved on the elementary layer |
| 388,167 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9BO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9BO3"],… | typed the way the ontology types it |
| 394,789 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260820T1812399309960000/1612 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v0 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v1 |
| ef:activity/change/20260820T1812399309960000/1613 | name | ef:agent/bootstrap_labels | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v1 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v2 |
| ef:activity/change/20260820T1812399309960000/1614 | synonyms | ef:agent/bootstrap_labels | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v2 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v3 |
| ef:activity/change/20260820T1812399309960000/108324 | context | ef:agent/default_context_mapping | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v3 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v4 |
| ef:activity/change/20260820T1812399309960000/108325 | context_iri | ef:agent/default_context_mapping | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v4 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v5 |
| ef:activity/change/20260820T1812399309960000/213875 | unit_iri | ef:agent/unit_normalization | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v5 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v6 |
| ef:activity/change/20260820T1812399309960000/221463 | prefLabel | ef:agent/normalize_name_case | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v6 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v7 |
| ef:activity/change/20260820T1812399309960000/228731 | properties | ef:agent/enrich_references | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v7 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v8 |
| ef:activity/change/20260820T1812399309960000/228732 | skos_definition | ef:agent/enrich_references | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v8 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v9 |
| ef:activity/change/20260820T1812399309960000/228733 | references | ef:agent/enrich_references | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v9 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v10 |
| ef:activity/change/20260820T1812399309960000/248763 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v10 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v11 |
| ef:activity/change/20260820T1812399309960000/254565 | altLabel | ef:agent/chebi_altlabels | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v11 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v12 |
| ef:activity/change/20260820T1812399309960000/268808 | prefLabel | ef:agent/consensus_match | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v12 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v13 |
| ef:activity/change/20260820T1812399309960000/268809 | altLabel | ef:agent/consensus_match | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v13 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v14 |
| ef:activity/change/20260820T1812399309960000/268810 | altLabel | ef:agent/consensus_match | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v14 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v15 |
| ef:activity/change/20260820T1812399309960000/268811 | cas_match_labels | ef:agent/consensus_match | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v15 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v16 |
| ef:activity/change/20260820T1812399309960000/273884 | properties | ef:agent/opsin_iupac | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v16 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v17 |
| ef:activity/change/20260820T1812399309960000/280274 | properties | ef:agent/rdkit_post_consensus | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v17 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v18 |
| ef:activity/change/20260820T1812399309960000/287569 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v18 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v19 |
| ef:activity/change/20260820T1812399309960000/335153 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v19 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v20 |
| ef:activity/change/20260820T1812399309960000/388167 | properties | ef:agent/normalise_property_values | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v20 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v21 |
| ef:activity/change/20260820T1812399309960000/394789 | types | ef:agent/link_flows_to_their_substance | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v21 | ef:flow/6290950e-0d51-4515-b832-ae848bef6181/v22 |