6'-methoxycinchonan-9-ol Sulfate (salt)
Everything that changed this flow. Back to the flow
f348d817-b540-4364-a56f-05e6841fe3c8
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=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'549-56-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a06b8c1a6f7975f3: {'549-56-4': '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 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=['549-56-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[11069, 11949689, 16051948, 20055278, 126970102]; selected_pubchem_cids=[11949689]; 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 |
|---|---|---|---|---|---|
| 862 | bootstrap_labels | prefLabel | — | [{"@value":"6'-methoxycinchonan-9-ol sulfate (salt)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 863 | bootstrap_labels | name | 6'-methoxycinchonan-9-ol sulfate (salt) | — | Purged legacy name field to enforce prefLabel usage |
| 864 | bootstrap_labels | synonyms | ["organic","quininehydrogensulphate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 196,080 | 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) |
| 196,081 | 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) |
| 213,628 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,296 | normalize_name_case | prefLabel | [{"@value":"6'-methoxycinchonan-9-ol sulfate (salt)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | [{"@value":"6'-methoxycinchonan-9-ol Sulfate (salt)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,006 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26N2O6… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,007 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,008 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.008.156","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['549-56-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[11069, 11949689, 16051948, 20055278, 126970102]; selected_pubchem_cids=[11949689]; 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 |
| 248,558 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26N2O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26N2O6… | rdkit_pre_consensus from 'COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.OS(=O)(=O)O'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 263,194 | consensus_match | altLabel | [] | [{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1)","@language":"en","source":{"prov:wasGenerate… | group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; cas=549-56-4; added Common Chemistry CAS names as altLabel: Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1), Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt), Quinine bisulfate, Quinine hydrogen sulfate, Quinine, sulfate (1:1) (salt); object_uuid=fo-a06b8c1a6f7975f3 |
| 263,195 | consensus_match | cas_match_labels | — | {"549-56-4":"exactMatch"} | group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'549-56-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a06b8c1a6f7975f3: {'549-56-4': 'exactMatch'} |
| 273,698 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26N2O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26N2O6… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, sulfate (1:1)' |
| 280,068 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26N2O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26N2O6… | rdkit_post_consensus from 'C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.O=S(=O)(O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,018 | dedupe_altlabels | altLabel | [{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1)","@language":"en","source":{"prov:wasGenerate… | [{"@value":"Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, sulfate (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"con… | Deduplicated altLabel values and removed entries matching prefLabel |
| 379,095 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f348d817-b540-… | associations resolved on the elementary layer |
| 387,978 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26N2O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26N2O6… | typed the way the ontology types it |
| 394,532 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | the substance's answer, copied onto its flow |
| 394,533 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26N2O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26N2O6… | 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/20260820T1555490862250000/862 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v0 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v1 |
| ef:activity/change/20260820T1555490862250000/863 | name | ef:agent/bootstrap_labels | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v1 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v2 |
| ef:activity/change/20260820T1555490862250000/864 | synonyms | ef:agent/bootstrap_labels | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v2 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v3 |
| ef:activity/change/20260820T1555490862250000/196080 | context | ef:agent/default_context_mapping | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v3 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v4 |
| ef:activity/change/20260820T1555490862250000/196081 | context_iri | ef:agent/default_context_mapping | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v4 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v5 |
| ef:activity/change/20260820T1555490862250000/213628 | unit_iri | ef:agent/unit_normalization | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v5 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v6 |
| ef:activity/change/20260820T1555490862250000/221296 | prefLabel | ef:agent/normalize_name_case | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v6 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v7 |
| ef:activity/change/20260820T1555490862250000/228006 | properties | ef:agent/enrich_references | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v7 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v8 |
| ef:activity/change/20260820T1555490862250000/228007 | skos_definition | ef:agent/enrich_references | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v8 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v9 |
| ef:activity/change/20260820T1555490862250000/228008 | references | ef:agent/enrich_references | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v9 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v10 |
| ef:activity/change/20260820T1555490862250000/248558 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v10 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v11 |
| ef:activity/change/20260820T1555490862250000/263194 | altLabel | ef:agent/consensus_match | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v11 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v12 |
| ef:activity/change/20260820T1555490862250000/263195 | cas_match_labels | ef:agent/consensus_match | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v12 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v13 |
| ef:activity/change/20260820T1555490862250000/273698 | properties | ef:agent/opsin_iupac | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v13 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v14 |
| ef:activity/change/20260820T1555490862250000/280068 | properties | ef:agent/rdkit_post_consensus | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v14 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v15 |
| ef:activity/change/20260820T1555490862250000/292018 | altLabel | ef:agent/dedupe_altlabels | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v15 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v16 |
| ef:activity/change/20260820T1555490862250000/379095 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v16 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v17 |
| ef:activity/change/20260820T1555490862250000/387978 | properties | ef:agent/normalise_property_values | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v17 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v18 |
| ef:activity/change/20260820T1555490862250000/394532 | types | ef:agent/link_flows_to_their_substance | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v18 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v19 |
| ef:activity/change/20260820T1555490862250000/394533 | properties | ef:agent/link_flows_to_their_substance | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v19 | ef:flow/f348d817-b540-4364-a56f-05e6841fe3c8/v20 |