2-methylhexane
Everything that changed this flow. Back to the flow
1729c887-6556-11dd-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 24840' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2-methylhexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'591-76-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f04effc6abe03c20: {'591-76-4': '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: 209-730-6 from CAS 591-76-4 |
| 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=['591-76-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[11582]; selected_pubchem_cids=[11582]; 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 |
|---|---|---|---|---|---|
| 15,342 | bootstrap_labels | prefLabel | — | [{"@value":"2-methylhexane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 15,343 | bootstrap_labels | name | 2-methylhexane | — | Purged legacy name field to enforce prefLabel usage |
| 15,344 | bootstrap_labels | synonyms | ["AC1L1XNX","Hexane, 2-methyl-","ISOHEPTANE"] | [] | Removed legacy synonyms field in favor of structured labels |
| 51,004 | 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 |
| 51,005 | 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 |
| 218,388 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,973 | ec_cross_check | ec_numbers | [] | ["209-730-6"] | Resolved from EC-inventory: 209-730-6 from CAS 591-76-4 |
| 241,656 | 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) |
| 241,657 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,658 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.564C","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['591-76-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[11582]; selected_pubchem_cids=[11582]; 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 |
| 252,487 | 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 'CCCCC(C)C'; added: molecular_mass, monoisotopic_mass |
| 261,154 | consensus_match | altLabel | [] | [{"@value":"Hexane, 2-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo… | group_key=2-methylhexane||dimension=Environmental > media=Ground > geography=Agricultural; cas=591-76-4; added Common Chemistry CAS names as altLabel: Hexane, 2-methyl-, NSC 24840; object_uuid=fo-f04effc6abe03c20 |
| 261,155 | consensus_match | cas_match_labels | — | {"591-76-4":"exactMatch"} | group_key=2-methylhexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'591-76-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f04effc6abe03c20: {'591-76-4': 'exactMatch'} |
| 277,684 | 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-methylhexane' |
| 284,380 | 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 'CCCCC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,377 | strip_catalogue_altlabels | altLabel | [{"@value":"Hexane, 2-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo… | [{"@value":"Hexane, 2-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo… | Removed 1 catalogue altLabel value(s): 'NSC 24840' (registry code) |
| 306,522 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1729c887-6556-… | associations resolved on the elementary layer |
| 392,032 | 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 |
| 400,321 | 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/20260821T0609040591070000/15342 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v0 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260821T0609040591070000/15343 | name | ef:agent/bootstrap_labels | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v1 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260821T0609040591070000/15344 | synonyms | ef:agent/bootstrap_labels | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v2 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260821T0609040591070000/51004 | context | ef:agent/default_context_mapping | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v3 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260821T0609040591070000/51005 | context_iri | ef:agent/default_context_mapping | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v4 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260821T0609040591070000/218388 | unit_iri | ef:agent/unit_normalization | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v5 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260821T0609040591070000/226973 | ec_numbers | ef:agent/ec_cross_check | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v6 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260821T0609040591070000/241656 | properties | ef:agent/enrich_references | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v7 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260821T0609040591070000/241657 | skos_definition | ef:agent/enrich_references | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v8 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260821T0609040591070000/241658 | references | ef:agent/enrich_references | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v9 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260821T0609040591070000/252487 | properties | ef:agent/rdkit_pre_consensus | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v10 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260821T0609040591070000/261154 | altLabel | ef:agent/consensus_match | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v11 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260821T0609040591070000/261155 | cas_match_labels | ef:agent/consensus_match | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v12 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260821T0609040591070000/277684 | properties | ef:agent/opsin_iupac | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v13 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260821T0609040591070000/284380 | properties | ef:agent/rdkit_post_consensus | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v14 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260821T0609040591070000/290377 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v15 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260821T0609040591070000/306522 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v16 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260821T0609040591070000/392032 | properties | ef:agent/normalise_property_values | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v17 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260821T0609040591070000/400321 | types | ef:agent/link_flows_to_their_substance | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v18 | ef:flow/1729c887-6556-11dd-ad8b-0800200c9a66/v19 |