2-(methylamino)ethanol - Oxosulfane Oxide (1:1)
Everything that changed this flow. Back to the flow
dad09b92-f0d7-43a3-9912-07adfcf4b885
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=2-(methylamino)ethanol-oxosulfaneoxide(1:1)||dimension=Environmental > media=Water > water_body=Unknown; cas=21049-70-7; added Common Chemistry CAS names as altLabel: 2-Methylaminoethanol-sulfur dioxide compd., Ethanol, 2-(methylamino)-, compd. with sulfur dioxide, Ethanol, 2-(methylamino)-, compd. with sulfur dioxide (1:?), Sulfur dioxide, compd. with 2-(methylamino)ethanol; object_uuid=fo-049a0bb39084b89c |
| cas_match_labels | 1 | consensus_match | group_key=2-(methylamino)ethanol-oxosulfaneoxide(1:1)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'21049-70-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-049a0bb39084b89c: {'21049-70-7': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, 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=['21049-70-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[161342, 254059]; selected_pubchem_cids=[161342]; 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 |
|---|---|---|---|---|---|
| 20,797 | bootstrap_labels | prefLabel | — | [{"@value":"2-(methylamino)ethanol - oxosulfane oxide (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"bootstra… | Bootstrapped prefLabel from legacy name field |
| 20,798 | bootstrap_labels | name | 2-(methylamino)ethanol - oxosulfane oxide (1:1) | — | Purged legacy name field to enforce prefLabel usage |
| 20,799 | bootstrap_labels | synonyms | ["organic","2-(methylamino)ethanol,compoundwithsulphurdioxide","2-methylaminoethanol-sulfurdioxidecompd.","ethanol,2-(m… | [] | Removed legacy synonyms field in favor of structured labels |
| 180,242 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 180,243 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 220,055 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,803 | normalize_name_case | prefLabel | [{"@value":"2-(methylamino)ethanol - oxosulfane oxide (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"bootstra… | [{"@value":"2-(methylamino)ethanol - Oxosulfane Oxide (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"bootstra… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,336 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9NO3S"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,337 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,338 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.040.138","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['21049-70-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[161342, 254059]; selected_pubchem_cids=[161342]; 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 |
| 253,844 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9NO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9NO3S"]… | rdkit_pre_consensus from 'CNCCO.O=S=O'; added: molecular_mass, monoisotopic_mass |
| 260,360 | consensus_match | altLabel | [] | [{"@value":"2-Methylaminoethanol-sulfur dioxide compd.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | group_key=2-(methylamino)ethanol-oxosulfaneoxide(1:1)||dimension=Environmental > media=Water > water_body=Unknown; cas=21049-70-7; added Common Chemistry CAS names as altLabel: 2-Methylaminoethanol-sulfur dioxide compd., Ethanol, 2-(methylamino)-, compd. with sulfur dioxide, Ethanol, 2-(methylamino)-, compd. with sulfur dioxide (1:?), Sulfur dioxide, compd. with 2-(methylamino)ethanol; object_uuid=fo-049a0bb39084b89c |
| 260,361 | consensus_match | cas_match_labels | — | {"21049-70-7":"exactMatch"} | group_key=2-(methylamino)ethanol-oxosulfaneoxide(1:1)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'21049-70-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-049a0bb39084b89c: {'21049-70-7': 'exactMatch'} |
| 279,044 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9NO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9NO3S"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-(methylamino)ethanol - Oxosulfane Oxide (1:1)' |
| 285,871 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9NO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9NO3S"]… | rdkit_post_consensus from 'CNCCO.O=S=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 371,140 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/dad09b92-f0d7-… | associations resolved on the elementary layer |
| 393,420 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9NO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9NO3S"]… | typed the way the ontology types it |
| 402,370 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | 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/20260821T0609040591070000/20797 | prefLabel | ef:agent/bootstrap_labels | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v0 | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v1 |
| ef:activity/change/20260821T0609040591070000/20798 | name | ef:agent/bootstrap_labels | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v1 | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v2 |
| ef:activity/change/20260821T0609040591070000/20799 | synonyms | ef:agent/bootstrap_labels | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v2 | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v3 |
| ef:activity/change/20260821T0609040591070000/180242 | context | ef:agent/default_context_mapping | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v3 | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v4 |
| ef:activity/change/20260821T0609040591070000/180243 | context_iri | ef:agent/default_context_mapping | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v4 | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v5 |
| ef:activity/change/20260821T0609040591070000/220055 | unit_iri | ef:agent/unit_normalization | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v5 | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v6 |
| ef:activity/change/20260821T0609040591070000/225803 | prefLabel | ef:agent/normalize_name_case | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v6 | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v7 |
| ef:activity/change/20260821T0609040591070000/246336 | properties | ef:agent/enrich_references | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v7 | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v8 |
| ef:activity/change/20260821T0609040591070000/246337 | skos_definition | ef:agent/enrich_references | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v8 | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v9 |
| ef:activity/change/20260821T0609040591070000/246338 | references | ef:agent/enrich_references | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v9 | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v10 |
| ef:activity/change/20260821T0609040591070000/253844 | properties | ef:agent/rdkit_pre_consensus | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v10 | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v11 |
| ef:activity/change/20260821T0609040591070000/260360 | altLabel | ef:agent/consensus_match | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v11 | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v12 |
| ef:activity/change/20260821T0609040591070000/260361 | cas_match_labels | ef:agent/consensus_match | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v12 | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v13 |
| ef:activity/change/20260821T0609040591070000/279044 | properties | ef:agent/opsin_iupac | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v13 | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v14 |
| ef:activity/change/20260821T0609040591070000/285871 | properties | ef:agent/rdkit_post_consensus | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v14 | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v15 |
| ef:activity/change/20260821T0609040591070000/371140 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v15 | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v16 |
| ef:activity/change/20260821T0609040591070000/393420 | properties | ef:agent/normalise_property_values | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v16 | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v17 |
| ef:activity/change/20260821T0609040591070000/402370 | types | ef:agent/link_flows_to_their_substance | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v17 | ef:flow/dad09b92-f0d7-43a3-9912-07adfcf4b885/v18 |