Reaction Mass Of Isomers Of Methyl 2-ethylhexanoate
Everything that changed this flow. Back to the flow
e2573e6f-7751-4661-b9ea-4cce5fddca7d
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=reactionmassofisomersofmethyl2-ethylhexanoate||dimension=Environmental > media=Air > strata=Long-term; cas=816-19-3; added Common Chemistry CAS names as altLabel: 2-Ethyl-methyl ester hexanoic acid, 2-Ethylhexanoic acid methyl ester, Hexanoic acid, 2-ethyl-, methyl ester, Methyl 2-ethylhexanoate; object_uuid=fo-2074f7793ecc5777 |
| cas_match_labels | 1 | consensus_match | group_key=reactionmassofisomersofmethyl2-ethylhexanoate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'816-19-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-2074f7793ecc5777: {'816-19-3': '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=['816-19-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[69872, 102491]; selected_pubchem_cids=[102491]; 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 |
|---|---|---|---|---|---|
| 11,428 | bootstrap_labels | prefLabel | — | [{"@value":"reaction mass of isomers of methyl 2-ethylhexanoate","@language":"en","source":{"prov:wasGeneratedBy":"boot… | Bootstrapped prefLabel from legacy name field |
| 11,429 | bootstrap_labels | name | reaction mass of isomers of methyl 2-ethylhexanoate | — | Purged legacy name field to enforce prefLabel usage |
| 11,430 | bootstrap_labels | synonyms | ["organic","methyl2-ethylhexanoate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 184,538 | 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 |
| 184,539 | 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 |
| 217,128 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,761 | normalize_name_case | prefLabel | [{"@value":"reaction mass of isomers of methyl 2-ethylhexanoate","@language":"en","source":{"prov:wasGeneratedBy":"boot… | [{"@value":"Reaction Mass Of Isomers Of Methyl 2-ethylhexanoate","@language":"en","source":{"prov:wasGeneratedBy":"boot… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,050 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,051 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,052 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J124.052H","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['816-19-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[69872, 102491]; selected_pubchem_cids=[102491]; 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 |
| 251,439 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O2"],… | rdkit_pre_consensus from 'CCCCC(CC)C(=O)OC'; added: molecular_mass, monoisotopic_mass |
| 271,357 | consensus_match | altLabel | [] | [{"@value":"2-Ethyl-methyl ester hexanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | group_key=reactionmassofisomersofmethyl2-ethylhexanoate||dimension=Environmental > media=Air > strata=Long-term; cas=816-19-3; added Common Chemistry CAS names as altLabel: 2-Ethyl-methyl ester hexanoic acid, 2-Ethylhexanoic acid methyl ester, Hexanoic acid, 2-ethyl-, methyl ester, Methyl 2-ethylhexanoate; object_uuid=fo-2074f7793ecc5777 |
| 271,358 | consensus_match | cas_match_labels | — | {"816-19-3":"exactMatch"} | group_key=reactionmassofisomersofmethyl2-ethylhexanoate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'816-19-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-2074f7793ecc5777: {'816-19-3': 'exactMatch'} |
| 276,617 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-Ethylhexanoic acid methyl ester' |
| 283,242 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O2"],… | rdkit_post_consensus from 'CCCCC(CC)C(=O)OC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 373,296 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e2573e6f-7751-… | associations resolved on the elementary layer |
| 390,974 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O2"],… | typed the way the ontology types it |
| 398,821 | 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/20260821T1554374006150000/11428 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v0 | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v1 |
| ef:activity/change/20260821T1554374006150000/11429 | name | ef:agent/bootstrap_labels | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v1 | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v2 |
| ef:activity/change/20260821T1554374006150000/11430 | synonyms | ef:agent/bootstrap_labels | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v2 | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v3 |
| ef:activity/change/20260821T1554374006150000/184538 | context | ef:agent/default_context_mapping | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v3 | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v4 |
| ef:activity/change/20260821T1554374006150000/184539 | context_iri | ef:agent/default_context_mapping | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v4 | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v5 |
| ef:activity/change/20260821T1554374006150000/217128 | unit_iri | ef:agent/unit_normalization | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v5 | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v6 |
| ef:activity/change/20260821T1554374006150000/223761 | prefLabel | ef:agent/normalize_name_case | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v6 | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v7 |
| ef:activity/change/20260821T1554374006150000/238050 | properties | ef:agent/enrich_references | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v7 | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v8 |
| ef:activity/change/20260821T1554374006150000/238051 | skos_definition | ef:agent/enrich_references | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v8 | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v9 |
| ef:activity/change/20260821T1554374006150000/238052 | references | ef:agent/enrich_references | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v9 | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v10 |
| ef:activity/change/20260821T1554374006150000/251439 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v10 | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v11 |
| ef:activity/change/20260821T1554374006150000/271357 | altLabel | ef:agent/consensus_match | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v11 | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v12 |
| ef:activity/change/20260821T1554374006150000/271358 | cas_match_labels | ef:agent/consensus_match | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v12 | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v13 |
| ef:activity/change/20260821T1554374006150000/276617 | properties | ef:agent/opsin_iupac | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v13 | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v14 |
| ef:activity/change/20260821T1554374006150000/283242 | properties | ef:agent/rdkit_post_consensus | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v14 | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v15 |
| ef:activity/change/20260821T1554374006150000/373296 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v15 | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v16 |
| ef:activity/change/20260821T1554374006150000/390974 | properties | ef:agent/normalise_property_values | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v16 | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v17 |
| ef:activity/change/20260821T1554374006150000/398821 | types | ef:agent/link_flows_to_their_substance | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v17 | ef:flow/e2573e6f-7751-4661-b9ea-4cce5fddca7d/v18 |