2-methyloctane-2-thiol
Everything that changed this flow. Back to the flow
90de5c57-4953-4cb5-a518-2e9eda2b29fe
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=2-methyloctane-2-thiol||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25360-10-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-84e58f812be59671: {'25360-10-5': '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 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 agricultural soil |
| 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=['25360-10-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[106220, 520196]; selected_pubchem_cids=[106220, 520196]; 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 |
|---|---|---|---|---|---|
| 16,116 | bootstrap_labels | prefLabel | — | [{"@value":"2-methyloctane-2-thiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 16,117 | bootstrap_labels | name | 2-methyloctane-2-thiol | — | Purged legacy name field to enforce prefLabel usage |
| 16,118 | bootstrap_labels | synonyms | ["organic","1,1-dimethylheptanethiol"] | [] | Removed legacy synonyms field in favor of structured labels |
| 135,844 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 135,845 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 218,633 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 242,352 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20S"],"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 242,353 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,354 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.918.722C","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['25360-10-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[106220, 520196]; selected_pubchem_cids=[106220, 520196]; 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 |
| 252,693 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20S"],"… | rdkit_pre_consensus from 'CC(C)(C)CC(C)(C)CS'; added: molecular_mass, monoisotopic_mass |
| 261,166 | consensus_match | altLabel | [] | [{"@value":"<em>tert</em>-Nonanethiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | group_key=2-methyloctane-2-thiol||dimension=Environmental > media=Water > water_body=Long-term; cas=25360-10-5; added Common Chemistry CAS names as altLabel: <em>tert</em>-Nonanethiol, <em>tert</em>-Nonyl mercaptan, Sulfole 90; object_uuid=fo-84e58f812be59671 |
| 261,167 | consensus_match | cas_match_labels | — | {"25360-10-5":"exactMatch"} | group_key=2-methyloctane-2-thiol||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25360-10-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-84e58f812be59671: {'25360-10-5': 'exactMatch'} |
| 277,899 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20S"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-methyloctane-2-thiol' |
| 284,609 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20S"],"… | rdkit_post_consensus from 'CCCCCCC(C)(C)S'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,073 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20S"],"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,864 | dedupe_altlabels | altLabel | [{"@value":"<em>tert</em>-Nonanethiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | [{"@value":"tert-Nonanethiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 348,916 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/90de5c57-4953-… | associations resolved on the elementary layer |
| 400,619 | 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/20260821T1122181958110000/16116 | prefLabel | ef:agent/bootstrap_labels | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v0 | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v1 |
| ef:activity/change/20260821T1122181958110000/16117 | name | ef:agent/bootstrap_labels | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v1 | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v2 |
| ef:activity/change/20260821T1122181958110000/16118 | synonyms | ef:agent/bootstrap_labels | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v2 | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v3 |
| ef:activity/change/20260821T1122181958110000/135844 | context | ef:agent/default_context_mapping | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v3 | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v4 |
| ef:activity/change/20260821T1122181958110000/135845 | context_iri | ef:agent/default_context_mapping | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v4 | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v5 |
| ef:activity/change/20260821T1122181958110000/218633 | unit_iri | ef:agent/unit_normalization | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v5 | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v6 |
| ef:activity/change/20260821T1122181958110000/242352 | properties | ef:agent/enrich_references | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v6 | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v7 |
| ef:activity/change/20260821T1122181958110000/242353 | skos_definition | ef:agent/enrich_references | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v7 | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v8 |
| ef:activity/change/20260821T1122181958110000/242354 | references | ef:agent/enrich_references | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v8 | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v9 |
| ef:activity/change/20260821T1122181958110000/252693 | properties | ef:agent/rdkit_pre_consensus | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v9 | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v10 |
| ef:activity/change/20260821T1122181958110000/261166 | altLabel | ef:agent/consensus_match | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v10 | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v11 |
| ef:activity/change/20260821T1122181958110000/261167 | cas_match_labels | ef:agent/consensus_match | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v11 | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v12 |
| ef:activity/change/20260821T1122181958110000/277899 | properties | ef:agent/opsin_iupac | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v12 | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v13 |
| ef:activity/change/20260821T1122181958110000/284609 | properties | ef:agent/rdkit_post_consensus | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v13 | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v14 |
| ef:activity/change/20260821T1122181958110000/287073 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v14 | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v15 |
| ef:activity/change/20260821T1122181958110000/292864 | altLabel | ef:agent/dedupe_altlabels | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v15 | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v16 |
| ef:activity/change/20260821T1122181958110000/348916 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v16 | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v17 |
| ef:activity/change/20260821T1122181958110000/400619 | types | ef:agent/link_flows_to_their_substance | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v17 | ef:flow/90de5c57-4953-4cb5-a518-2e9eda2b29fe/v18 |