2,4-dimethylpentane
Everything that changed this flow. Back to the flow
f214871e-6555-11dd-ad8b-0800200c9a66
By field
14 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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 61989' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,4-dimethylpentane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-08-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7d01f0c6fc270ab7: {'108-08-7': '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 |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 203-548-0 from CAS 108-08-7 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['108-08-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[7907, 232765]; selected_pubchem_cids=[7907]; 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 |
|---|---|---|---|---|---|
| 25,694 | bootstrap_labels | prefLabel | — | [{"@value":"2,4-dimethylpentane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Bootstrapped prefLabel from legacy name field |
| 25,695 | bootstrap_labels | name | 2,4-dimethylpentane | — | Purged legacy name field to enforce prefLabel usage |
| 25,696 | bootstrap_labels | synonyms | ["AC1L1PTR","AC1Q1P3W","Diisopropylmethane","Pentane, 2,4-dimethyl-"] | [] | Removed legacy synonyms field in favor of structured labels |
| 194,686 | 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 |
| 194,687 | 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 |
| 221,053 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,133 | ec_cross_check | ec_numbers | [] | ["203-548-0"] | Resolved from EC-inventory: 203-548-0 from CAS 108-08-7 |
| 248,264 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H16"],"a… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 248,265 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 248,266 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.409D","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['108-08-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[7907, 232765]; selected_pubchem_cids=[7907]; 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 |
| 254,372 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H16"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H16"],"a… | rdkit_pre_consensus from 'CC(C)CC(C)C'; added: molecular_mass, monoisotopic_mass |
| 259,970 | consensus_match | altLabel | [] | [{"@value":"NSC 61989","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"conse… | group_key=2,4-dimethylpentane||dimension=Environmental > media=Ground > geography=Agricultural; cas=108-08-7; added Common Chemistry CAS names as altLabel: NSC 61989, Pentane, 2,4-dimethyl-; object_uuid=fo-7d01f0c6fc270ab7 |
| 259,971 | consensus_match | cas_match_labels | — | {"108-08-7":"exactMatch"} | group_key=2,4-dimethylpentane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-08-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7d01f0c6fc270ab7: {'108-08-7': 'exactMatch'} |
| 279,738 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H16"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H16"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,4-dimethylpentane' |
| 286,633 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H16"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H16"],"a… | rdkit_post_consensus from 'CC(C)CC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,855 | strip_catalogue_altlabels | altLabel | [{"@value":"NSC 61989","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"conse… | [{"@value":"Pentane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | Removed 1 catalogue altLabel value(s): 'NSC 61989' (registry code) |
| 378,375 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f214871e-6555-… | associations resolved on the elementary layer |
| 394,145 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H16"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H16"],"a… | typed the way the ontology types it |
| 403,700 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T1554374006150000/25694 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v0 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260821T1554374006150000/25695 | name | ef:agent/bootstrap_labels | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v1 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260821T1554374006150000/25696 | synonyms | ef:agent/bootstrap_labels | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v2 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260821T1554374006150000/194686 | context | ef:agent/default_context_mapping | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v3 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260821T1554374006150000/194687 | context_iri | ef:agent/default_context_mapping | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v4 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260821T1554374006150000/221053 | unit_iri | ef:agent/unit_normalization | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v5 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260821T1554374006150000/227133 | ec_numbers | ef:agent/ec_cross_check | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v6 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260821T1554374006150000/248264 | properties | ef:agent/enrich_references | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v7 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260821T1554374006150000/248265 | skos_definition | ef:agent/enrich_references | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v8 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260821T1554374006150000/248266 | references | ef:agent/enrich_references | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v9 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260821T1554374006150000/254372 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v10 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260821T1554374006150000/259970 | altLabel | ef:agent/consensus_match | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v11 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260821T1554374006150000/259971 | cas_match_labels | ef:agent/consensus_match | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v12 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260821T1554374006150000/279738 | properties | ef:agent/opsin_iupac | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v13 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260821T1554374006150000/286633 | properties | ef:agent/rdkit_post_consensus | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v14 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260821T1554374006150000/291855 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v15 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260821T1554374006150000/378375 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v16 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260821T1554374006150000/394145 | properties | ef:agent/normalise_property_values | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v17 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260821T1554374006150000/403700 | types | ef:agent/link_flows_to_their_substance | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v18 | ef:flow/f214871e-6555-11dd-ad8b-0800200c9a66/v19 |