Reaction Products Of Neodecanoic Acid (or Neodecanoyl Chloride Derived From Neodecanoic Acid) And Tert-butyl Hydroperoxide
Everything that changed this flow. Back to the flow
1994f8c3-c561-4b7f-9b89-8b2538c71ca2
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 3 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 4 catalogue altLabel value(s): 'KLD 920' (grade code), 'Lup 10' (grade code), 'PBND 100' (grade code), 'TX 23' (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=reactionproductsofneodecanoicacid(orneodecanoylchloridederivedfromneodecanoicacid)andtert-butylhydroperoxide||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'26748-41-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e3f241b333d7f6f6: {'26748-41-4': '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 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=['26748-41-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[117856, 11096848, 17771154, 22833325]; selected_pubchem_cids=[117856, 11096848, 17771154]; 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 |
|---|---|---|---|---|---|
| 16,294 | bootstrap_labels | prefLabel | — | [{"@value":"reaction products of neodecanoic acid (or neodecanoyl chloride derived from neodecanoic acid) and tert-buty… | Bootstrapped prefLabel from legacy name field |
| 16,295 | bootstrap_labels | name | reaction products of neodecanoic acid (or neodecanoyl chloride derived from neodecanoic acid) and tert-butyl hydroperox… | — | Purged legacy name field to enforce prefLabel usage |
| 16,296 | bootstrap_labels | synonyms | ["organic","tert-butylperoxyneodecanoate","tbpnd","trigonox23"] | [] | Removed legacy synonyms field in favor of structured labels |
| 53,430 | 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 |
| 53,431 | 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 |
| 218,687 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,832 | normalize_name_case | prefLabel | [{"@value":"reaction products of neodecanoic acid (or neodecanoyl chloride derived from neodecanoic acid) and tert-buty… | [{"@value":"Reaction Products Of Neodecanoic Acid (or Neodecanoyl Chloride Derived From Neodecanoic Acid) And Tert-buty… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,505 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H26O4",… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=3) |
| 242,506 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,507 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.322F","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['26748-41-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[117856, 11096848, 17771154, 22833325]; selected_pubchem_cids=[117856, 11096848, 17771154]; 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 |
| 252,737 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H26O4",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H26O4",… | rdkit_pre_consensus from 'CC(C)(C)CCCCC1(OO1)C(=O)OC(C)(C)C'; added: molecular_mass, monoisotopic_mass |
| 271,417 | consensus_match | altLabel | [] | [{"@value":"10M85","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus… | group_key=reactionproductsofneodecanoicacid(orneodecanoylchloridederivedfromneodecanoicacid)andtert-butylhydroperoxide||dimension=Environmental > media=Water > water_body=Surface water; cas=26748-41-4; added Common Chemistry CAS names as altLabel: 10M85, <em>tert</em>-Butyl perneodecanoate, <em>tert</em>-Butyl peroxyneodecanoate, Esperox 33, Esperox 33M, KLD 920, Lup 10, Luperox 10, Luperox 10M70, Luperox 10M75, Luperox TAPD, Lupersol 10, Lupersol 10M75, Neodecaneperoxoic acid, 1,1-dimethylethyl ester, PBND 100, Perbutyl ND, Perbutyl ND 100, Peroxan PND, Peroxyneodecanoic acid, <em>tert</em>-butyl ester, TBPND, TX 23, Trigonox 23, Trigonox 23C70, Trigonox 23C75, Trigonox 23W50; object_uuid=fo-e3f241b333d7f6f6 |
| 271,418 | consensus_match | cas_match_labels | — | {"26748-41-4":"exactMatch"} | group_key=reactionproductsofneodecanoicacid(orneodecanoylchloridederivedfromneodecanoicacid)andtert-butylhydroperoxide||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'26748-41-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e3f241b333d7f6f6: {'26748-41-4': 'exactMatch'} |
| 277,943 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H26O4",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H26O4",… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'tert-Butyl peroxyneodecanoate' |
| 284,659 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H26O4",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H26O4",… | rdkit_post_consensus from 'CC(C)(C)CCCCCC(=O)OOC(C)(C)C'; added: molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula |
| 287,082 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H26O4",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H26O4",… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes it |
| 290,559 | strip_catalogue_altlabels | altLabel | [{"@value":"10M85","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus… | [{"@value":"10M85","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus… | Removed 4 catalogue altLabel value(s): 'KLD 920' (grade code), 'Lup 10' (grade code), 'PBND 100' (grade code), 'TX 23' (grade code) |
| 307,742 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1994f8c3-c561-… | associations resolved on the elementary layer |
| 400,688 | 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/20260821T1554374006150000/16294 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v0 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v1 |
| ef:activity/change/20260821T1554374006150000/16295 | name | ef:agent/bootstrap_labels | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v1 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v2 |
| ef:activity/change/20260821T1554374006150000/16296 | synonyms | ef:agent/bootstrap_labels | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v2 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v3 |
| ef:activity/change/20260821T1554374006150000/53430 | context | ef:agent/default_context_mapping | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v3 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v4 |
| ef:activity/change/20260821T1554374006150000/53431 | context_iri | ef:agent/default_context_mapping | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v4 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v5 |
| ef:activity/change/20260821T1554374006150000/218687 | unit_iri | ef:agent/unit_normalization | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v5 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v6 |
| ef:activity/change/20260821T1554374006150000/224832 | prefLabel | ef:agent/normalize_name_case | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v6 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v7 |
| ef:activity/change/20260821T1554374006150000/242505 | properties | ef:agent/enrich_references | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v7 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v8 |
| ef:activity/change/20260821T1554374006150000/242506 | skos_definition | ef:agent/enrich_references | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v8 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v9 |
| ef:activity/change/20260821T1554374006150000/242507 | references | ef:agent/enrich_references | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v9 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v10 |
| ef:activity/change/20260821T1554374006150000/252737 | properties | ef:agent/rdkit_pre_consensus | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v10 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v11 |
| ef:activity/change/20260821T1554374006150000/271417 | altLabel | ef:agent/consensus_match | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v11 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v12 |
| ef:activity/change/20260821T1554374006150000/271418 | cas_match_labels | ef:agent/consensus_match | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v12 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v13 |
| ef:activity/change/20260821T1554374006150000/277943 | properties | ef:agent/opsin_iupac | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v13 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v14 |
| ef:activity/change/20260821T1554374006150000/284659 | properties | ef:agent/rdkit_post_consensus | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v14 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v15 |
| ef:activity/change/20260821T1554374006150000/287082 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v15 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v16 |
| ef:activity/change/20260821T1554374006150000/290559 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v16 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v17 |
| ef:activity/change/20260821T1554374006150000/307742 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v17 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v18 |
| ef:activity/change/20260821T1554374006150000/400688 | types | ef:agent/link_flows_to_their_substance | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v18 | ef:flow/1994f8c3-c561-4b7f-9b89-8b2538c71ca2/v19 |