Propanoic Acid, 3,3' [(dibutylstannylene) Bis(thio)]bis-, Diisotridecylester
Everything that changed this flow. Back to the flow
789d2e88-5290-4991-bef1-760819901eb4
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 |
| 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=propanoicacid,3,3'[(dibutylstannylene)bis(thio)]bis-,diisotridecylester||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=84896-44-6; added Common Chemistry CAS names as altLabel: Propanoic acid, 3,3′-[(dibutylstannylene)bis(thio)]bis-, 1,1′-diisotridecyl ester, Propanoic acid, 3,3′-[(dibutylstannylene)bis(thio)]bis-, diisotridecyl ester; object_uuid=fo-5bea0cc16e553c8f |
| cas_match_labels | 1 | consensus_match | group_key=propanoicacid,3,3'[(dibutylstannylene)bis(thio)]bis-,diisotridecylester||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory']; cas_sources={'84896-44-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5bea0cc16e553c8f: {'84896-44-6': '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 air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, 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=['84896-44-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[9577822, 57354363]; selected_pubchem_cids=[9577822]; 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 |
|---|---|---|---|---|---|
| 16,070 | bootstrap_labels | prefLabel | — | [{"@value":"propanoic acid, 3,3' [(dibutylstannylene) bis(thio)]bis-, diisotridecylester","@language":"en","source":{"p… | Bootstrapped prefLabel from legacy name field |
| 16,071 | bootstrap_labels | name | propanoic acid, 3,3' [(dibutylstannylene) bis(thio)]bis-, diisotridecylester | — | Purged legacy name field to enforce prefLabel usage |
| 16,072 | bootstrap_labels | synonyms | ["organometallic","diisotridecyl3,3'","-[(dibutylstannylene)bis(thio)]dipropionate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 121,562 | 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) |
| 121,563 | 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) |
| 218,618 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,786 | normalize_name_case | prefLabel | [{"@value":"propanoic acid, 3,3' [(dibutylstannylene) bis(thio)]bis-, diisotridecylester","@language":"en","source":{"p… | [{"@value":"Propanoic Acid, 3,3' [(dibutylstannylene) Bis(thio)]bis-, Diisotridecylester","@language":"en","source":{"p… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,310 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C40H80O4S2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 242,311 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,312 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.076.755","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['84896-44-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[9577822, 57354363]; selected_pubchem_cids=[9577822]; 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 |
| 252,681 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C40H80O4S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C40H80O4S2… | rdkit_pre_consensus from 'CCCC[Sn](CCCC)(SCCC(=O)OCCCCCCCCCCC(C)C)SCCC(=O)OCCCCCCCCCCC(C)C'; added: molecular_mass, monoisotopic_mass |
| 271,061 | consensus_match | altLabel | [] | [{"@value":"Propanoic acid, 3,3′-[(dibutylstannylene)bis(thio)]bis-, 1,1′-diisotridecyl ester","@language":"en","source… | group_key=propanoicacid,3,3'[(dibutylstannylene)bis(thio)]bis-,diisotridecylester||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=84896-44-6; added Common Chemistry CAS names as altLabel: Propanoic acid, 3,3′-[(dibutylstannylene)bis(thio)]bis-, 1,1′-diisotridecyl ester, Propanoic acid, 3,3′-[(dibutylstannylene)bis(thio)]bis-, diisotridecyl ester; object_uuid=fo-5bea0cc16e553c8f |
| 271,062 | consensus_match | cas_match_labels | — | {"84896-44-6":"exactMatch"} | group_key=propanoicacid,3,3'[(dibutylstannylene)bis(thio)]bis-,diisotridecylester||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory']; cas_sources={'84896-44-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5bea0cc16e553c8f: {'84896-44-6': 'exactMatch'} |
| 277,887 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C40H80O4S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C40H80O4S2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Propanoic acid, 3,3′-[(dibutylstannylene)bis(thio)]bis-, 1,1′-diisotridecyl ester' |
| 284,597 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C40H80O4S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C40H80O4S2… | rdkit_post_consensus from 'CCC[CH2][Sn]([CH2]CCC)([S]CCC(=O)OCCCCCCCCCCC(C)C)[S]CCC(=O)OCCCCCCCCCCC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 341,779 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/789d2e88-5290-… | associations resolved on the elementary layer |
| 392,242 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C40H80O4S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C40H80O4S2… | typed the way the ontology types it |
| 400,606 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T1554374006150000/16070 | prefLabel | ef:agent/bootstrap_labels | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v0 | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v1 |
| ef:activity/change/20260821T1554374006150000/16071 | name | ef:agent/bootstrap_labels | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v1 | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v2 |
| ef:activity/change/20260821T1554374006150000/16072 | synonyms | ef:agent/bootstrap_labels | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v2 | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v3 |
| ef:activity/change/20260821T1554374006150000/121562 | context | ef:agent/default_context_mapping | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v3 | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v4 |
| ef:activity/change/20260821T1554374006150000/121563 | context_iri | ef:agent/default_context_mapping | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v4 | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v5 |
| ef:activity/change/20260821T1554374006150000/218618 | unit_iri | ef:agent/unit_normalization | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v5 | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v6 |
| ef:activity/change/20260821T1554374006150000/224786 | prefLabel | ef:agent/normalize_name_case | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v6 | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v7 |
| ef:activity/change/20260821T1554374006150000/242310 | properties | ef:agent/enrich_references | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v7 | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v8 |
| ef:activity/change/20260821T1554374006150000/242311 | skos_definition | ef:agent/enrich_references | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v8 | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v9 |
| ef:activity/change/20260821T1554374006150000/242312 | references | ef:agent/enrich_references | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v9 | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v10 |
| ef:activity/change/20260821T1554374006150000/252681 | properties | ef:agent/rdkit_pre_consensus | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v10 | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v11 |
| ef:activity/change/20260821T1554374006150000/271061 | altLabel | ef:agent/consensus_match | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v11 | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v12 |
| ef:activity/change/20260821T1554374006150000/271062 | cas_match_labels | ef:agent/consensus_match | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v12 | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v13 |
| ef:activity/change/20260821T1554374006150000/277887 | properties | ef:agent/opsin_iupac | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v13 | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v14 |
| ef:activity/change/20260821T1554374006150000/284597 | properties | ef:agent/rdkit_post_consensus | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v14 | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v15 |
| ef:activity/change/20260821T1554374006150000/341779 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v15 | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v16 |
| ef:activity/change/20260821T1554374006150000/392242 | properties | ef:agent/normalise_property_values | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v16 | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v17 |
| ef:activity/change/20260821T1554374006150000/400606 | types | ef:agent/link_flows_to_their_substance | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v17 | ef:flow/789d2e88-5290-4991-bef1-760819901eb4/v18 |