Neodecanoyl Chloride
Everything that changed this flow. Back to the flow
1d20eea5-85cb-4ee3-8354-93e65f2991d5
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 |
| 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=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=40292-82-8; added Common Chemistry CAS names as altLabel: Neodecanoic chloride; object_uuid=fo-9bfa55888f26721d |
| cas_match_labels | 1 | consensus_match | group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'40292-82-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9bfa55888f26721d: {'40292-82-8': '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 air > Emissions to lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['40292-82-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[94502, 170028, 248434, 22833334, 73555786]; selected_pubchem_cids=[94502, 248434, 73555786]; 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 |
|---|---|---|---|---|---|
| 17,222 | bootstrap_labels | prefLabel | — | [{"@value":"neodecanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 17,223 | bootstrap_labels | name | neodecanoyl chloride | — | Purged legacy name field to enforce prefLabel usage |
| 17,224 | bootstrap_labels | synonyms | ["organic","neodecanoylchloride","neodecanoicchloride","neodecanoylchloride(9ci)","neodecansaeurechlorid"] | [] | Removed legacy synonyms field in favor of structured labels |
| 55,532 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 55,533 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 218,983 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,034 | normalize_name_case | prefLabel | [{"@value":"neodecanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"Neodecanoyl Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 243,335 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H19ClO"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=3) |
| 243,336 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 243,337 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.371.057G","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['40292-82-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[94502, 170028, 248434, 22833334, 73555786]; selected_pubchem_cids=[94502, 248434, 73555786]; 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 |
| 252,968 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H19ClO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H19ClO"… | rdkit_pre_consensus from 'CC(C)(C)CCCCCC(=O)Cl'; added: molecular_mass, monoisotopic_mass |
| 269,801 | consensus_match | altLabel | [] | [{"@value":"Neodecanoic chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribute… | group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=40292-82-8; added Common Chemistry CAS names as altLabel: Neodecanoic chloride; object_uuid=fo-9bfa55888f26721d |
| 269,802 | consensus_match | cas_match_labels | — | {"40292-82-8":"exactMatch"} | group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'40292-82-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9bfa55888f26721d: {'40292-82-8': 'exactMatch'} |
| 278,172 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H19ClO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H19ClO"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Neodecanoyl Chloride' |
| 284,913 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H19ClO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H19ClO"… | rdkit_post_consensus from 'CC(C)(C)CCCCCC(=O)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,106 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H19ClO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H19ClO"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes it |
| 308,794 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1d20eea5-85cb-… | associations resolved on the elementary layer |
| 401,043 | 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/20260821T1554374006150000/17222 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v0 | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v1 |
| ef:activity/change/20260821T1554374006150000/17223 | name | ef:agent/bootstrap_labels | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v1 | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v2 |
| ef:activity/change/20260821T1554374006150000/17224 | synonyms | ef:agent/bootstrap_labels | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v2 | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v3 |
| ef:activity/change/20260821T1554374006150000/55532 | context | ef:agent/default_context_mapping | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v3 | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v4 |
| ef:activity/change/20260821T1554374006150000/55533 | context_iri | ef:agent/default_context_mapping | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v4 | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v5 |
| ef:activity/change/20260821T1554374006150000/218983 | unit_iri | ef:agent/unit_normalization | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v5 | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v6 |
| ef:activity/change/20260821T1554374006150000/225034 | prefLabel | ef:agent/normalize_name_case | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v6 | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v7 |
| ef:activity/change/20260821T1554374006150000/243335 | properties | ef:agent/enrich_references | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v7 | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v8 |
| ef:activity/change/20260821T1554374006150000/243336 | skos_definition | ef:agent/enrich_references | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v8 | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v9 |
| ef:activity/change/20260821T1554374006150000/243337 | references | ef:agent/enrich_references | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v9 | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v10 |
| ef:activity/change/20260821T1554374006150000/252968 | properties | ef:agent/rdkit_pre_consensus | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v10 | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v11 |
| ef:activity/change/20260821T1554374006150000/269801 | altLabel | ef:agent/consensus_match | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v11 | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v12 |
| ef:activity/change/20260821T1554374006150000/269802 | cas_match_labels | ef:agent/consensus_match | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v12 | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v13 |
| ef:activity/change/20260821T1554374006150000/278172 | properties | ef:agent/opsin_iupac | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v13 | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v14 |
| ef:activity/change/20260821T1554374006150000/284913 | properties | ef:agent/rdkit_post_consensus | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v14 | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v15 |
| ef:activity/change/20260821T1554374006150000/287106 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v15 | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v16 |
| ef:activity/change/20260821T1554374006150000/308794 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v16 | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v17 |
| ef:activity/change/20260821T1554374006150000/401043 | types | ef:agent/link_flows_to_their_substance | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v17 | ef:flow/1d20eea5-85cb-4ee3-8354-93e65f2991d5/v18 |