Calcium Bis(7-methyloctanoate)
Everything that changed this flow. Back to the flow
07a500b1-ec70-4b92-b18a-1af75cadf016
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 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=calciumbis(7-methyloctanoate)||dimension=Environmental > media=Water > water_body=Long-term; cas=53988-05-9; added Common Chemistry CAS names as altLabel: Calcium isononanoate, Isononanoic acid, calcium salt, Isononanoic acid, calcium salt (2:1); object_uuid=fo-456132f69384c7cc |
| cas_match_labels | 1 | consensus_match | group_key=calciumbis(7-methyloctanoate)||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory']; cas_sources={'53988-05-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-456132f69384c7cc: {'53988-05-9': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['53988-05-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[62075, 23120470]; selected_pubchem_cids=[62075, 23120470]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,109 | bootstrap_labels | prefLabel | — | [{"@value":"calcium bis(7-methyloctanoate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Bootstrapped prefLabel from legacy name field |
| 6,110 | bootstrap_labels | name | calcium bis(7-methyloctanoate) | — | Purged legacy name field to enforce prefLabel usage |
| 6,111 | bootstrap_labels | synonyms | ["organometallic","calciumisononanoate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 31,294 | 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) |
| 31,295 | 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) |
| 215,381 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,505 | normalize_name_case | prefLabel | [{"@value":"calcium bis(7-methyloctanoate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | [{"@value":"Calcium Bis(7-methyloctanoate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,056 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34CaO4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 233,057 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,058 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J98.113C","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['53988-05-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[62075, 23120470]; selected_pubchem_cids=[62075, 23120470]; 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 |
| 250,012 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34CaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34CaO4… | rdkit_pre_consensus from 'CC(C)CCCCCC(=O)[O-].CC(C)CCCCCC(=O)[O-].[Ca+2]'; added: molecular_mass, monoisotopic_mass |
| 264,763 | consensus_match | altLabel | [] | [{"@value":"Calcium isononanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribute… | group_key=calciumbis(7-methyloctanoate)||dimension=Environmental > media=Water > water_body=Long-term; cas=53988-05-9; added Common Chemistry CAS names as altLabel: Calcium isononanoate, Isononanoic acid, calcium salt, Isononanoic acid, calcium salt (2:1); object_uuid=fo-456132f69384c7cc |
| 264,764 | consensus_match | cas_match_labels | — | {"53988-05-9":"exactMatch"} | group_key=calciumbis(7-methyloctanoate)||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory']; cas_sources={'53988-05-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-456132f69384c7cc: {'53988-05-9': 'exactMatch'} |
| 275,147 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34CaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34CaO4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Calcium Bis(7-methyloctanoate)' |
| 281,644 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34CaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34CaO4… | rdkit_post_consensus from 'CC(C)CCCCCC(=O)[O-].CC(C)CCCCCC(=O)[O-].[Ca+2]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,851 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34CaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34CaO4… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 296,686 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/07a500b1-ec70-… | associations resolved on the elementary layer |
| 396,611 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1554374006150000/6109 | prefLabel | ef:agent/bootstrap_labels | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v0 | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v1 |
| ef:activity/change/20260821T1554374006150000/6110 | name | ef:agent/bootstrap_labels | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v1 | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v2 |
| ef:activity/change/20260821T1554374006150000/6111 | synonyms | ef:agent/bootstrap_labels | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v2 | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v3 |
| ef:activity/change/20260821T1554374006150000/31294 | context | ef:agent/default_context_mapping | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v3 | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v4 |
| ef:activity/change/20260821T1554374006150000/31295 | context_iri | ef:agent/default_context_mapping | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v4 | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v5 |
| ef:activity/change/20260821T1554374006150000/215381 | unit_iri | ef:agent/unit_normalization | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v5 | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v6 |
| ef:activity/change/20260821T1554374006150000/222505 | prefLabel | ef:agent/normalize_name_case | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v6 | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v7 |
| ef:activity/change/20260821T1554374006150000/233056 | properties | ef:agent/enrich_references | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v7 | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v8 |
| ef:activity/change/20260821T1554374006150000/233057 | skos_definition | ef:agent/enrich_references | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v8 | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v9 |
| ef:activity/change/20260821T1554374006150000/233058 | references | ef:agent/enrich_references | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v9 | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v10 |
| ef:activity/change/20260821T1554374006150000/250012 | properties | ef:agent/rdkit_pre_consensus | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v10 | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v11 |
| ef:activity/change/20260821T1554374006150000/264763 | altLabel | ef:agent/consensus_match | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v11 | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v12 |
| ef:activity/change/20260821T1554374006150000/264764 | cas_match_labels | ef:agent/consensus_match | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v12 | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v13 |
| ef:activity/change/20260821T1554374006150000/275147 | properties | ef:agent/opsin_iupac | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v13 | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v14 |
| ef:activity/change/20260821T1554374006150000/281644 | properties | ef:agent/rdkit_post_consensus | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v14 | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v15 |
| ef:activity/change/20260821T1554374006150000/286851 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v15 | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v16 |
| ef:activity/change/20260821T1554374006150000/296686 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v16 | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v17 |
| ef:activity/change/20260821T1554374006150000/396611 | types | ef:agent/link_flows_to_their_substance | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v17 | ef:flow/07a500b1-ec70-4b92-b18a-1af75cadf016/v18 |