6'-methoxycinchonan-9-ol Dihydrochloride
Everything that changed this flow. Back to the flow
caf386d2-f82f-4dfc-b9be-f7c85aa50fa6
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, link_flows_to_their_substance, normalise_property_values, 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-oldihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'60-93-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e6665343f9b4ed97: {'60-93-5': '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 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=['60-93-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[91429, 711535, 2732910, 12309512, 16211283, 53297459, 70695646, 73449442, 74765060, 91827731, 133126670, 134715704]; selected_pubchem_cids=[91429]; 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 |
|---|---|---|---|---|---|
| 18,406 | bootstrap_labels | prefLabel | — | [{"@value":"6'-methoxycinchonan-9-ol dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | Bootstrapped prefLabel from legacy name field |
| 18,407 | bootstrap_labels | name | 6'-methoxycinchonan-9-ol dihydrochloride | — | Purged legacy name field to enforce prefLabel usage |
| 18,408 | bootstrap_labels | synonyms | ["organic","quininedihydrochloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 169,968 | 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) |
| 169,969 | 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) |
| 219,354 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,289 | normalize_name_case | prefLabel | [{"@value":"6'-methoxycinchonan-9-ol dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | [{"@value":"6'-methoxycinchonan-9-ol Dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,380 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26Cl2N… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,381 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,382 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.000.449","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['60-93-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[91429, 711535, 2732910, 12309512, 16211283, 53297459, 70695646, 73449442, 74765060, 91827731, 133126670, 134715704]; selected_pubchem_cids=[91429]; 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 |
| 253,274 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26Cl2N… | rdkit_pre_consensus from 'COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.Cl.Cl'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 263,174 | consensus_match | altLabel | [] | [{"@value":"(-)-Quinine dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | group_key=6'-methoxycinchonan-9-oldihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; cas=60-93-5; added Common Chemistry CAS names as altLabel: (-)-Quinine dihydrochloride, Acid quinine hydrochloride, Cinchonan-9-ol, 6′-methoxy-, dihydrochloride, (8α,9<em>R</em>)-, Cinchonan-9-ol, 6′-methoxy-, hydrochloride (1:2), (8α,9<em>R</em>)-, Quinine bimuriate, Quinine, dihydrochloride; object_uuid=fo-e6665343f9b4ed97 |
| 263,175 | consensus_match | cas_match_labels | — | {"60-93-5":"exactMatch"} | group_key=6'-methoxycinchonan-9-oldihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'60-93-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e6665343f9b4ed97: {'60-93-5': 'exactMatch'} |
| 285,249 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26Cl2N… | rdkit_post_consensus from 'COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.Cl.Cl'; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,993 | dedupe_altlabels | altLabel | [{"@value":"(-)-Quinine dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | [{"@value":"(-)-Quinine dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | Deduplicated altLabel values and removed entries matching prefLabel |
| 366,010 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/caf386d2-f82f-… | associations resolved on the elementary layer |
| 392,852 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26Cl2N… | typed the way the ontology types it |
| 401,512 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | the substance's answer, copied onto its flow |
| 401,513 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H26Cl2N… | 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/20260821T1554374006150000/18406 | prefLabel | ef:agent/bootstrap_labels | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v0 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v1 |
| ef:activity/change/20260821T1554374006150000/18407 | name | ef:agent/bootstrap_labels | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v1 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v2 |
| ef:activity/change/20260821T1554374006150000/18408 | synonyms | ef:agent/bootstrap_labels | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v2 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v3 |
| ef:activity/change/20260821T1554374006150000/169968 | context | ef:agent/default_context_mapping | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v3 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v4 |
| ef:activity/change/20260821T1554374006150000/169969 | context_iri | ef:agent/default_context_mapping | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v4 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v5 |
| ef:activity/change/20260821T1554374006150000/219354 | unit_iri | ef:agent/unit_normalization | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v5 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v6 |
| ef:activity/change/20260821T1554374006150000/225289 | prefLabel | ef:agent/normalize_name_case | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v6 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v7 |
| ef:activity/change/20260821T1554374006150000/244380 | properties | ef:agent/enrich_references | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v7 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v8 |
| ef:activity/change/20260821T1554374006150000/244381 | skos_definition | ef:agent/enrich_references | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v8 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v9 |
| ef:activity/change/20260821T1554374006150000/244382 | references | ef:agent/enrich_references | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v9 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v10 |
| ef:activity/change/20260821T1554374006150000/253274 | properties | ef:agent/rdkit_pre_consensus | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v10 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v11 |
| ef:activity/change/20260821T1554374006150000/263174 | altLabel | ef:agent/consensus_match | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v11 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v12 |
| ef:activity/change/20260821T1554374006150000/263175 | cas_match_labels | ef:agent/consensus_match | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v12 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v13 |
| ef:activity/change/20260821T1554374006150000/285249 | properties | ef:agent/rdkit_post_consensus | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v13 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v14 |
| ef:activity/change/20260821T1554374006150000/292993 | altLabel | ef:agent/dedupe_altlabels | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v14 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v15 |
| ef:activity/change/20260821T1554374006150000/366010 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v15 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v16 |
| ef:activity/change/20260821T1554374006150000/392852 | properties | ef:agent/normalise_property_values | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v16 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v17 |
| ef:activity/change/20260821T1554374006150000/401512 | types | ef:agent/link_flows_to_their_substance | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v17 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v18 |
| ef:activity/change/20260821T1554374006150000/401513 | properties | ef:agent/link_flows_to_their_substance | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v18 | ef:flow/caf386d2-f82f-4dfc-b9be-f7c85aa50fa6/v19 |