Tert-butyl {(1s,3s)-3-{(s)- Hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[ (2s,4s)-5-oxo-4-(propan-2-yl)tetrahydrofuran-2-yl ]pentyl}carbamate
Everything that changed this flow. Back to the flow
aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7
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=tert-butyl{(1s,3s)-3-{(s)-hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[(2s,4s)-5-oxo-4-(propan-2-yl)tetrahydrofuran-2-yl]pentyl}carbamate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'934841-33-5': []}; assigned CAS labels from group consensus; object_uuid=fo-29226426d915e5a2: {'934841-33-5': '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 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=['934841-33-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[59426811, 171040277]; selected_pubchem_cids=[59426811]; 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 |
|---|---|---|---|---|---|
| 14,766 | bootstrap_labels | prefLabel | — | [{"@value":"tert-butyl {(1s,3s)-3-{(s)- hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[ (2s,4s)-5-oxo… | Bootstrapped prefLabel from legacy name field |
| 14,767 | bootstrap_labels | name | tert-butyl {(1s,3s)-3-{(s)- hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[ (2s,4s)-5-oxo-4-(propan-2… | — | Purged legacy name field to enforce prefLabel usage |
| 14,768 | bootstrap_labels | synonyms | ["tert-butyl {(1s,3s)-3-{(s)- hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[ (2s,4s)-5-oxo-4-(propan… | [] | Removed legacy synonyms field in favor of structured labels |
| 151,474 | 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) |
| 151,475 | 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) |
| 218,208 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,500 | normalize_name_case | prefLabel | [{"@value":"tert-butyl {(1s,3s)-3-{(s)- hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[ (2s,4s)-5-oxo… | [{"@value":"Tert-butyl {(1s,3s)-3-{(s)- Hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[ (2s,4s)-5-oxo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 241,149 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H49NO8"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 241,150 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,151 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.122.525","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['934841-33-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[59426811, 171040277]; selected_pubchem_cids=[59426811]; 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 |
| 252,339 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H49NO8"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H49NO8"… | rdkit_pre_consensus from 'CC(C)C1CC(OC1=O)C(CC(C(C)C)C(C2=CC(=C(C=C2)OC)OCCCOC)O)NC(=O)OC(C)(C)C'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 272,328 | consensus_match | altLabel | [] | [{"@value":"1,1-Dimethylethyl <em>N</em>-[(1<em>S</em>,3<em>S</em>)-3-[hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]met… | group_key=tert-butyl{(1s,3s)-3-{(s)-hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[(2s,4s)-5-oxo-4-(propan-2-yl)tetrahydrofuran-2-yl]pentyl}carbamate||dimension=Environmental > media=Water > water_body=Unknown; cas=934841-33-5; added Common Chemistry CAS names as altLabel: 1,1-Dimethylethyl <em>N</em>-[(1<em>S</em>,3<em>S</em>)-3-[hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2<em>S</em>,4<em>S</em>)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamate, Carbamic acid, <em>N</em>-[(1<em>S</em>,3<em>S</em>)-3-[hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2<em>S</em>,4<em>S</em>)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]-, 1,1-dimethylethyl ester; object_uuid=fo-29226426d915e5a2 |
| 272,329 | consensus_match | cas_match_labels | — | {"934841-33-5":"exactMatch"} | group_key=tert-butyl{(1s,3s)-3-{(s)-hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[(2s,4s)-5-oxo-4-(propan-2-yl)tetrahydrofuran-2-yl]pentyl}carbamate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'934841-33-5': []}; assigned CAS labels from group consensus; object_uuid=fo-29226426d915e5a2: {'934841-33-5': 'exactMatch'} |
| 277,532 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H49NO8"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H49NO8"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1-Dimethylethyl N-[(1S,3S)-3-[hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamate' |
| 284,226 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H49NO8"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H49NO8"… | rdkit_post_consensus from 'COCCCOc1cc(C(O)[C@@H](C[C@H](NC(=O)OC(C)(C)C)[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 |
| 292,777 | dedupe_altlabels | altLabel | [{"@value":"1,1-Dimethylethyl <em>N</em>-[(1<em>S</em>,3<em>S</em>)-3-[hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]met… | [{"@value":"1,1-Dimethylethyl N-[(1S,3S)-3-[hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-te… | Deduplicated altLabel values and removed entries matching prefLabel |
| 356,760 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/aaf41ecc-6fb8-… | associations resolved on the elementary layer |
| 391,890 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H49NO8"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H49NO8"… | typed the way the ontology types it |
| 400,121 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 400,122 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H49NO8"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H49NO8"… | 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/20260821T1554374006150000/14766 | prefLabel | ef:agent/bootstrap_labels | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v0 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v1 |
| ef:activity/change/20260821T1554374006150000/14767 | name | ef:agent/bootstrap_labels | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v1 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v2 |
| ef:activity/change/20260821T1554374006150000/14768 | synonyms | ef:agent/bootstrap_labels | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v2 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v3 |
| ef:activity/change/20260821T1554374006150000/151474 | context | ef:agent/default_context_mapping | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v3 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v4 |
| ef:activity/change/20260821T1554374006150000/151475 | context_iri | ef:agent/default_context_mapping | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v4 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v5 |
| ef:activity/change/20260821T1554374006150000/218208 | unit_iri | ef:agent/unit_normalization | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v5 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v6 |
| ef:activity/change/20260821T1554374006150000/224500 | prefLabel | ef:agent/normalize_name_case | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v6 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v7 |
| ef:activity/change/20260821T1554374006150000/241149 | properties | ef:agent/enrich_references | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v7 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v8 |
| ef:activity/change/20260821T1554374006150000/241150 | skos_definition | ef:agent/enrich_references | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v8 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v9 |
| ef:activity/change/20260821T1554374006150000/241151 | references | ef:agent/enrich_references | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v9 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v10 |
| ef:activity/change/20260821T1554374006150000/252339 | properties | ef:agent/rdkit_pre_consensus | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v10 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v11 |
| ef:activity/change/20260821T1554374006150000/272328 | altLabel | ef:agent/consensus_match | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v11 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v12 |
| ef:activity/change/20260821T1554374006150000/272329 | cas_match_labels | ef:agent/consensus_match | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v12 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v13 |
| ef:activity/change/20260821T1554374006150000/277532 | properties | ef:agent/opsin_iupac | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v13 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v14 |
| ef:activity/change/20260821T1554374006150000/284226 | properties | ef:agent/rdkit_post_consensus | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v14 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v15 |
| ef:activity/change/20260821T1554374006150000/292777 | altLabel | ef:agent/dedupe_altlabels | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v15 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v16 |
| ef:activity/change/20260821T1554374006150000/356760 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v16 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v17 |
| ef:activity/change/20260821T1554374006150000/391890 | properties | ef:agent/normalise_property_values | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v17 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v18 |
| ef:activity/change/20260821T1554374006150000/400121 | types | ef:agent/link_flows_to_their_substance | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v18 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v19 |
| ef:activity/change/20260821T1554374006150000/400122 | properties | ef:agent/link_flows_to_their_substance | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v19 | ef:flow/aaf41ecc-6fb8-41c1-a0ff-5becbbf952c7/v20 |