(3s,5s)-5-[(1s,3s)-1-azido-3-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methylpentyl]-3-(propan-2-yl)oxolan-2-one
Everything that changed this flow. Back to the flow
897e4b9a-b7c0-444e-afa3-e2a522598856
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 |
| cas_match_labels | 1 | consensus_match | group_key=(3s,5s)-5-[(1s,3s)-1-azido-3-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methylpentyl]-3-(propan-2-yl)oxolan-2-one||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'324763-46-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-69d5f9ee93d25ec4: {'324763-46-4': '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 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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['324763-46-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[11374224, 11775573, 20725260, 46856301, 91757314, 122130703, 129894397, 134990712, 155887652]; selected_pubchem_cids=[11775573]; 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 |
|---|---|---|---|---|---|
| 11,965 | bootstrap_labels | prefLabel | — | [{"@value":"(3s,5s)-5-[(1s,3s)-1-azido-3-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methylpentyl]-3-(propan-2-yl)… | Bootstrapped prefLabel from legacy name field |
| 11,966 | bootstrap_labels | name | (3s,5s)-5-[(1s,3s)-1-azido-3-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methylpentyl]-3-(propan-2-yl)oxolan-2-one | — | Purged legacy name field to enforce prefLabel usage |
| 11,967 | bootstrap_labels | synonyms | ["2(3h)-furanone,5-[(1s,3s)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]dihydro-3-(1-methyl… | [] | Removed legacy synonyms field in favor of structured labels |
| 131,470 | 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 |
| 131,471 | 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 |
| 217,310 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 238,567 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H39N3O5… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,568 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,569 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.450.709D","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['324763-46-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[11374224, 11775573, 20725260, 46856301, 91757314, 122130703, 129894397, 134990712, 155887652]; selected_pubchem_cids=[11775573]; 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 |
| 251,595 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H39N3O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H39N3O5… | rdkit_pre_consensus from 'CC(C)C1CC(OC1=O)C(CC(CC2=CC(=C(C=C2)OC)OCCCOC)C(C)C)N=[N+]=[N-]'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 257,749 | consensus_match | altLabel | [] | [{"@value":"(3<em>S</em>,5<em>S</em>)-5-[(1<em>S</em>,3<em>S</em>)-1-Azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]met… | group_key=(3s,5s)-5-[(1s,3s)-1-azido-3-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methylpentyl]-3-(propan-2-yl)oxolan-2-one||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=324763-46-4; added Common Chemistry CAS names as altLabel: (3<em>S</em>,5<em>S</em>)-5-[(1<em>S</em>,3<em>S</em>)-1-Azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]dihydro-3-(1-methylethyl)-2(3<em>H</em>)-furanone, 2(3<em>H</em>)-Furanone, 5-[(1<em>S</em>,3<em>S</em>)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]dihydro-3-(1-methylethyl)-, (3<em>S</em>,5<em>S</em>)-, 5(<em>S</em>)-[1(<em>S</em>)-Azido-3(<em>S</em>)-[4-methoxy-3-(3-methoxypropoxy)benzyl]-4-methylpentyl]-3(<em>S</em>)-isopropyldihydrofuran-2-one; object_uuid=fo-69d5f9ee93d25ec4 |
| 257,750 | consensus_match | cas_match_labels | — | {"324763-46-4":"exactMatch"} | group_key=(3s,5s)-5-[(1s,3s)-1-azido-3-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methylpentyl]-3-(propan-2-yl)oxolan-2-one||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'324763-46-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-69d5f9ee93d25ec4: {'324763-46-4': 'exactMatch'} |
| 276,791 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H39N3O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H39N3O5… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(3s,5s)-5-[(1s,3s)-1-azido-3-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methylpentyl]-3-(propan-2-yl)oxolan-2-one' |
| 283,426 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H39N3O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H39N3O5… | rdkit_post_consensus from 'COCCCOc1cc(C[C@@H](C[C@H](N=[N+]=[N-])[C@@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)ccc1OC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,631 | dedupe_altlabels | altLabel | [{"@value":"(3<em>S</em>,5<em>S</em>)-5-[(1<em>S</em>,3<em>S</em>)-1-Azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]met… | [{"@value":"(3S,5S)-5-[(1S,3S)-1-Azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]dihydro-3-(1-met… | Deduplicated altLabel values and removed entries matching prefLabel |
| 346,755 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/897e4b9a-b7c0-… | associations resolved on the elementary layer |
| 391,147 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H39N3O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H39N3O5… | typed the way the ontology types it |
| 399,049 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 399,050 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H39N3O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H39N3O5… | 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/20260820T0738569779880000/11965 | prefLabel | ef:agent/bootstrap_labels | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v0 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v1 |
| ef:activity/change/20260820T0738569779880000/11966 | name | ef:agent/bootstrap_labels | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v1 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v2 |
| ef:activity/change/20260820T0738569779880000/11967 | synonyms | ef:agent/bootstrap_labels | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v2 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v3 |
| ef:activity/change/20260820T0738569779880000/131470 | context | ef:agent/default_context_mapping | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v3 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v4 |
| ef:activity/change/20260820T0738569779880000/131471 | context_iri | ef:agent/default_context_mapping | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v4 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v5 |
| ef:activity/change/20260820T0738569779880000/217310 | unit_iri | ef:agent/unit_normalization | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v5 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v6 |
| ef:activity/change/20260820T0738569779880000/238567 | properties | ef:agent/enrich_references | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v6 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v7 |
| ef:activity/change/20260820T0738569779880000/238568 | skos_definition | ef:agent/enrich_references | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v7 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v8 |
| ef:activity/change/20260820T0738569779880000/238569 | references | ef:agent/enrich_references | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v8 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v9 |
| ef:activity/change/20260820T0738569779880000/251595 | properties | ef:agent/rdkit_pre_consensus | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v9 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v10 |
| ef:activity/change/20260820T0738569779880000/257749 | altLabel | ef:agent/consensus_match | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v10 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v11 |
| ef:activity/change/20260820T0738569779880000/257750 | cas_match_labels | ef:agent/consensus_match | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v11 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v12 |
| ef:activity/change/20260820T0738569779880000/276791 | properties | ef:agent/opsin_iupac | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v12 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v13 |
| ef:activity/change/20260820T0738569779880000/283426 | properties | ef:agent/rdkit_post_consensus | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v13 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v14 |
| ef:activity/change/20260820T0738569779880000/292631 | altLabel | ef:agent/dedupe_altlabels | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v14 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v15 |
| ef:activity/change/20260820T0738569779880000/346755 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v15 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v16 |
| ef:activity/change/20260820T0738569779880000/391147 | properties | ef:agent/normalise_property_values | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v16 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v17 |
| ef:activity/change/20260820T0738569779880000/399049 | types | ef:agent/link_flows_to_their_substance | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v17 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v18 |
| ef:activity/change/20260820T0738569779880000/399050 | properties | ef:agent/link_flows_to_their_substance | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v18 | ef:flow/897e4b9a-b7c0-444e-afa3-e2a522598856/v19 |