Ethyl (3ar,7r,7ar)-2,2-dimethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
Everything that changed this flow. Back to the flow
326ebae6-90b8-41ab-8016-471628123dc0
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=ethyl(3ar,7r,7ar)-2,2-dimethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'204254-84-2': []}; assigned CAS labels from group consensus; object_uuid=fo-e37de77114d56c4a: {'204254-84-2': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['204254-84-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[9948980, 23565516, 165364821]; selected_pubchem_cids=[9948980]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 1,844 | bootstrap_labels | prefLabel | — | [{"@value":"ethyl (3ar,7r,7ar)-2,2-dimethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate… | Bootstrapped prefLabel from legacy name field |
| 1,845 | bootstrap_labels | name | ethyl (3ar,7r,7ar)-2,2-dimethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate | — | Purged legacy name field to enforce prefLabel usage |
| 1,846 | bootstrap_labels | synonyms | ["organic","1,3-benzodioxole-5-carboxylicacid,3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-,ethylester,(3a… | [] | Removed legacy synonyms field in favor of structured labels |
| 69,954 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 69,955 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 213,953 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,521 | normalize_name_case | prefLabel | [{"@value":"ethyl (3ar,7r,7ar)-2,2-dimethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate… | [{"@value":"Ethyl (3ar,7r,7ar)-2,2-dimethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,953 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H20O7S"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,954 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,955 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=204254-84-2","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['204254-84-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[9948980, 23565516, 165364821]; selected_pubchem_cids=[9948980]; 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 |
| 248,826 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H20O7S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H20O7S"… | rdkit_pre_consensus from 'CCOC(=O)C1=CC2C(C(C1)OS(=O)(=O)C)OC(O2)(C)C'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 266,811 | consensus_match | altLabel | [] | [{"@value":"1,3-Benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-, ethyl ester… | group_key=ethyl(3ar,7r,7ar)-2,2-dimethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate||dimension=Environmental > media=Ground > geography=Agricultural; cas=204254-84-2; added Common Chemistry CAS names as altLabel: 1,3-Benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-, ethyl ester, (3a<em>R</em>,7<em>R</em>,7a<em>R</em>)-, 1,3-Benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-, ethyl ester, [3a<em>R</em>-(3aα,7α,7aα)]-, Ethyl (3a<em>R</em>,7<em>R</em>,7a<em>R</em>)-3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylate, Ethyl (3aR,7R,7aR)-2,2-dimethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydrobenzo[<em>d</em>][1,3]dioxole-5-carboxylate, Ethyl 3,4-<em>O</em>-isopropylidene-5-<em>O</em>-methanesulfonylshikimate; object_uuid=fo-e37de77114d56c4a |
| 266,812 | consensus_match | cas_match_labels | — | {"204254-84-2":"exactMatch"} | group_key=ethyl(3ar,7r,7ar)-2,2-dimethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'204254-84-2': []}; assigned CAS labels from group consensus; object_uuid=fo-e37de77114d56c4a: {'204254-84-2': 'exactMatch'} |
| 273,947 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H20O7S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H20O7S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Ethyl (3ar,7r,7ar)-2,2-dimethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate' |
| 280,347 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H20O7S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H20O7S"… | rdkit_post_consensus from 'CCOC(=O)C1=C[C@H]2OC(C)(C)O[C@H]2[C@H](OS(C)(=O)=O)C1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,060 | dedupe_altlabels | altLabel | [{"@value":"1,3-Benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-, ethyl ester… | [{"@value":"1,3-Benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-, ethyl ester… | Deduplicated altLabel values and removed entries matching prefLabel |
| 315,994 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/326ebae6-90b8-… | associations resolved on the elementary layer |
| 388,238 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H20O7S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H20O7S"… | typed the way the ontology types it |
| 394,888 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 394,889 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H20O7S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H20O7S"… | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260822T0600486828500000/1844 | prefLabel | ef:agent/bootstrap_labels | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v0 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v1 |
| ef:activity/change/20260822T0600486828500000/1845 | name | ef:agent/bootstrap_labels | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v1 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v2 |
| ef:activity/change/20260822T0600486828500000/1846 | synonyms | ef:agent/bootstrap_labels | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v2 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v3 |
| ef:activity/change/20260822T0600486828500000/69954 | context | ef:agent/default_context_mapping | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v3 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v4 |
| ef:activity/change/20260822T0600486828500000/69955 | context_iri | ef:agent/default_context_mapping | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v4 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v5 |
| ef:activity/change/20260822T0600486828500000/213953 | unit_iri | ef:agent/unit_normalization | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v5 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v6 |
| ef:activity/change/20260822T0600486828500000/221521 | prefLabel | ef:agent/normalize_name_case | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v6 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v7 |
| ef:activity/change/20260822T0600486828500000/228953 | properties | ef:agent/enrich_references | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v7 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v8 |
| ef:activity/change/20260822T0600486828500000/228954 | skos_definition | ef:agent/enrich_references | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v8 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v9 |
| ef:activity/change/20260822T0600486828500000/228955 | references | ef:agent/enrich_references | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v9 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v10 |
| ef:activity/change/20260822T0600486828500000/248826 | properties | ef:agent/rdkit_pre_consensus | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v10 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v11 |
| ef:activity/change/20260822T0600486828500000/266811 | altLabel | ef:agent/consensus_match | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v11 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v12 |
| ef:activity/change/20260822T0600486828500000/266812 | cas_match_labels | ef:agent/consensus_match | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v12 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v13 |
| ef:activity/change/20260822T0600486828500000/273947 | properties | ef:agent/opsin_iupac | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v13 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v14 |
| ef:activity/change/20260822T0600486828500000/280347 | properties | ef:agent/rdkit_post_consensus | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v14 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v15 |
| ef:activity/change/20260822T0600486828500000/292060 | altLabel | ef:agent/dedupe_altlabels | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v15 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v16 |
| ef:activity/change/20260822T0600486828500000/315994 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v16 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v17 |
| ef:activity/change/20260822T0600486828500000/388238 | properties | ef:agent/normalise_property_values | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v17 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v18 |
| ef:activity/change/20260822T0600486828500000/394888 | types | ef:agent/link_flows_to_their_substance | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v18 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v19 |
| ef:activity/change/20260822T0600486828500000/394889 | properties | ef:agent/link_flows_to_their_substance | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v19 | ef:flow/326ebae6-90b8-41ab-8016-471628123dc0/v20 |