Neodecanoic Acid
Everything that changed this flow. Back to the flow
4e59d9c3-d136-400d-95e6-5d74c22cb727
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 |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'V 10' (grade code), 'V 10 (acid)' (grade code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=neodecanoicacid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'26896-20-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a322c6149b6617fa: {'26896-20-8': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['26896-20-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[62817, 62838, 219314]; selected_pubchem_cids=[62817]; 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 |
|---|---|---|---|---|---|
| 12,405 | bootstrap_labels | prefLabel | — | [{"@value":"neodecanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 12,406 | bootstrap_labels | name | neodecanoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 12,407 | bootstrap_labels | synonyms | ["organic","neodecanoicacid","neodecanoicacid(8ci,9ci)","neodecanoicacid,primegrade"] | [] | Removed legacy synonyms field in favor of structured labels |
| 96,492 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 96,493 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 217,444 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,968 | normalize_name_case | prefLabel | [{"@value":"neodecanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"Neodecanoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,964 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,965 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,966 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.043.707","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['26896-20-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[62817, 62838, 219314]; selected_pubchem_cids=[62817]; 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 |
| 251,704 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2"]… | rdkit_pre_consensus from 'CCC(C)(CCC(C)C)C(=O)O'; added: molecular_mass, monoisotopic_mass |
| 269,795 | consensus_match | altLabel | [] | [{"@value":"Neodecanoic Acid Prime","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | group_key=neodecanoicacid||dimension=Environmental > media=Ground > geography=Agricultural; cas=26896-20-8; added Common Chemistry CAS names as altLabel: Neodecanoic Acid Prime, Shina 10, Topper 5E, V 10, V 10 (acid), Versatic 10, Versatic 10 Acid, Versatic Acid 10, Wiltz 65; object_uuid=fo-a322c6149b6617fa |
| 269,796 | consensus_match | cas_match_labels | — | {"26896-20-8":"exactMatch"} | group_key=neodecanoicacid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'26896-20-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a322c6149b6617fa: {'26896-20-8': 'exactMatch'} |
| 276,889 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Neodecanoic Acid' |
| 283,536 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2"]… | rdkit_post_consensus from 'CC(C)(C)CCCCCC(=O)O'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,994 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2"]… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 289,811 | strip_catalogue_altlabels | altLabel | [{"@value":"Neodecanoic Acid Prime","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | [{"@value":"Neodecanoic Acid Prime","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | Removed 2 catalogue altLabel value(s): 'V 10' (grade code), 'V 10 (acid)' (grade code) |
| 329,244 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4e59d9c3-d136-… | associations resolved on the elementary layer |
| 399,190 | 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/20260821T1554374006150000/12405 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v0 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v1 |
| ef:activity/change/20260821T1554374006150000/12406 | name | ef:agent/bootstrap_labels | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v1 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v2 |
| ef:activity/change/20260821T1554374006150000/12407 | synonyms | ef:agent/bootstrap_labels | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v2 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v3 |
| ef:activity/change/20260821T1554374006150000/96492 | context | ef:agent/default_context_mapping | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v3 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v4 |
| ef:activity/change/20260821T1554374006150000/96493 | context_iri | ef:agent/default_context_mapping | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v4 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v5 |
| ef:activity/change/20260821T1554374006150000/217444 | unit_iri | ef:agent/unit_normalization | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v5 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v6 |
| ef:activity/change/20260821T1554374006150000/223968 | prefLabel | ef:agent/normalize_name_case | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v6 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v7 |
| ef:activity/change/20260821T1554374006150000/238964 | properties | ef:agent/enrich_references | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v7 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v8 |
| ef:activity/change/20260821T1554374006150000/238965 | skos_definition | ef:agent/enrich_references | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v8 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v9 |
| ef:activity/change/20260821T1554374006150000/238966 | references | ef:agent/enrich_references | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v9 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v10 |
| ef:activity/change/20260821T1554374006150000/251704 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v10 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v11 |
| ef:activity/change/20260821T1554374006150000/269795 | altLabel | ef:agent/consensus_match | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v11 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v12 |
| ef:activity/change/20260821T1554374006150000/269796 | cas_match_labels | ef:agent/consensus_match | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v12 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v13 |
| ef:activity/change/20260821T1554374006150000/276889 | properties | ef:agent/opsin_iupac | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v13 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v14 |
| ef:activity/change/20260821T1554374006150000/283536 | properties | ef:agent/rdkit_post_consensus | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v14 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v15 |
| ef:activity/change/20260821T1554374006150000/286994 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v15 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v16 |
| ef:activity/change/20260821T1554374006150000/289811 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v16 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v17 |
| ef:activity/change/20260821T1554374006150000/329244 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v17 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v18 |
| ef:activity/change/20260821T1554374006150000/399190 | types | ef:agent/link_flows_to_their_substance | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v18 | ef:flow/4e59d9c3-d136-400d-95e6-5d74c22cb727/v19 |