6-methylheptyl Sulfanylacetate
Everything that changed this flow. Back to the flow
b1eaf57e-bf41-4ec9-b155-d4d177e12d4d
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 |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'Evabopol 198' (trade name) |
| 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=6-methylheptylsulfanylacetate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25103-09-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ca86bb0e77b599d7: {'25103-09-7': '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 air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['25103-09-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[34306, 15088700]; selected_pubchem_cids=[34306]; 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 |
|---|---|---|---|---|---|
| 22,267 | bootstrap_labels | prefLabel | — | [{"@value":"6-methylheptyl sulfanylacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Bootstrapped prefLabel from legacy name field |
| 22,268 | bootstrap_labels | name | 6-methylheptyl sulfanylacetate | — | Purged legacy name field to enforce prefLabel usage |
| 22,269 | bootstrap_labels | synonyms | ["organic","isooctylmercaptoacetate","6-methylheptylsulfanylacetate","iotg","isooctylthioglycolate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 155,584 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 155,585 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 220,424 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,110 | normalize_name_case | prefLabel | [{"@value":"6-methylheptyl sulfanylacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | [{"@value":"6-methylheptyl Sulfanylacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,343 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2S"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 247,344 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 247,345 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J71.008C","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['25103-09-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[34306, 15088700]; selected_pubchem_cids=[34306]; 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 |
| 254,135 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2S"… | rdkit_pre_consensus from 'CC(C)CCCCCOC(=O)CS'; added: molecular_mass, monoisotopic_mass |
| 263,270 | consensus_match | altLabel | [] | [{"@value":"Acetic acid, 2-mercapto-, isooctyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | group_key=6-methylheptylsulfanylacetate||dimension=Environmental > media=Ground > geography=Unknown; cas=25103-09-7; added Common Chemistry CAS names as altLabel: Acetic acid, 2-mercapto-, isooctyl ester, Acetic acid, mercapto-, isooctyl ester, Evabopol 198, Isooctyl 2-mercaptoacetate, Isooctyl alcohol, mercaptoacetate, Isooctyl mercaptoacetate, Isooctyl thioglycolate; object_uuid=fo-ca86bb0e77b599d7 |
| 263,271 | consensus_match | cas_match_labels | — | {"25103-09-7":"exactMatch"} | group_key=6-methylheptylsulfanylacetate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25103-09-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ca86bb0e77b599d7: {'25103-09-7': 'exactMatch'} |
| 279,335 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '6-methylheptyl Sulfanylacetate' |
| 286,210 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2S"… | rdkit_post_consensus from 'CC(C)CCCCCOC(=O)CS'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,580 | strip_catalogue_altlabels | altLabel | [{"@value":"Acetic acid, 2-mercapto-, isooctyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | [{"@value":"Acetic acid, 2-mercapto-, isooctyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | Removed 1 catalogue altLabel value(s): 'Evabopol 198' (trade name) |
| 358,816 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b1eaf57e-bf41-… | associations resolved on the elementary layer |
| 393,728 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2S"… | typed the way the ontology types it |
| 402,881 | 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/20260821T1554374006150000/22267 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v0 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v1 |
| ef:activity/change/20260821T1554374006150000/22268 | name | ef:agent/bootstrap_labels | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v1 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v2 |
| ef:activity/change/20260821T1554374006150000/22269 | synonyms | ef:agent/bootstrap_labels | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v2 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v3 |
| ef:activity/change/20260821T1554374006150000/155584 | context | ef:agent/default_context_mapping | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v3 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v4 |
| ef:activity/change/20260821T1554374006150000/155585 | context_iri | ef:agent/default_context_mapping | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v4 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v5 |
| ef:activity/change/20260821T1554374006150000/220424 | unit_iri | ef:agent/unit_normalization | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v5 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v6 |
| ef:activity/change/20260821T1554374006150000/226110 | prefLabel | ef:agent/normalize_name_case | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v6 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v7 |
| ef:activity/change/20260821T1554374006150000/247343 | properties | ef:agent/enrich_references | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v7 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v8 |
| ef:activity/change/20260821T1554374006150000/247344 | skos_definition | ef:agent/enrich_references | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v8 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v9 |
| ef:activity/change/20260821T1554374006150000/247345 | references | ef:agent/enrich_references | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v9 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v10 |
| ef:activity/change/20260821T1554374006150000/254135 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v10 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v11 |
| ef:activity/change/20260821T1554374006150000/263270 | altLabel | ef:agent/consensus_match | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v11 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v12 |
| ef:activity/change/20260821T1554374006150000/263271 | cas_match_labels | ef:agent/consensus_match | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v12 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v13 |
| ef:activity/change/20260821T1554374006150000/279335 | properties | ef:agent/opsin_iupac | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v13 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v14 |
| ef:activity/change/20260821T1554374006150000/286210 | properties | ef:agent/rdkit_post_consensus | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v14 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v15 |
| ef:activity/change/20260821T1554374006150000/291580 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v15 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v16 |
| ef:activity/change/20260821T1554374006150000/358816 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v16 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v17 |
| ef:activity/change/20260821T1554374006150000/393728 | properties | ef:agent/normalise_property_values | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v17 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v18 |
| ef:activity/change/20260821T1554374006150000/402881 | types | ef:agent/link_flows_to_their_substance | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v18 | ef:flow/b1eaf57e-bf41-4ec9-b155-d4d177e12d4d/v19 |