5-Nitrovanillin
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-15a459f5b8288928
Changes
57| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 465 | bootstrap_labels | prefLabel | — | [{"@value":"4-hydroxy-3-methoxy-5-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 466 | bootstrap_labels | name | 4-hydroxy-3-methoxy-5-nitrobenzaldehyde | — | Purged legacy name field to enforce prefLabel usage |
| 467 | bootstrap_labels | synonyms | ["organic","5-nitrovanillin","5-nitrovanillinothernames4-hydroxy-3-methoxy-5-nitrobenzaldehyde","benzaldehyde,4-hydroxy… | [] | Removed legacy synonyms field in favor of structured labels |
| 26,212 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 26,213 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 49,240 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 49,241 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 77,186 | 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 |
| 77,187 | 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 |
| 83,000 | 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) |
| 83,001 | 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) |
| 110,994 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 110,995 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 119,458 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 119,459 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 124,488 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 124,489 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 145,914 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 145,915 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 164,460 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 164,461 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 166,120 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 166,121 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 190,860 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 190,861 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 195,520 | 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) |
| 195,521 | 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) |
| 199,856 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 199,857 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 213,494 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,613 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO5"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,614 | enrich_references | skos_definition | — | [{"@value":"A member of the class of benzaldehydes that is vanillin in which the hydrogen ortho- to the hydroxy group i… | Merged ChEBI/PubChem definitions into skos:definition |
| 227,615 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J238K","provenance":{"prov:wasGeneratedBy":"enrich_references.… | Added references with provenance; cas_numbers=['6635-20-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_48385']; candidate_pubchem_cids=[81134, 194098, 3583651]; selected_pubchem_cids=[81134]; 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 |
| 248,441 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO5"],… | rdkit_pre_consensus from 'COC1=CC(=CC(=C1O)[N+](=O)[O-])C=O'; added: monoisotopic_mass |
| 254,443 | chebi_altlabels | altLabel | [] | [{"@value":"3-methoxy-4-hydroxy-5-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,763 | consensus_match | prefLabel | [{"@value":"4-hydroxy-3-methoxy-5-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | [{"@value":"5-Nitrovanillin","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":… | cas=6635-20-7; cc_chebi_agreed_name='5-Nitrovanillin'; object_uuid=fo-15a459f5b8288928 |
| 262,764 | consensus_match | altLabel | [{"@value":"3-methoxy-4-hydroxy-5-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | [{"@value":"3-methoxy-4-hydroxy-5-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | cas=6635-20-7; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-15a459f5b8288928 |
| 262,765 | consensus_match | altLabel | [{"@value":"3-methoxy-4-hydroxy-5-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | [{"@value":"3-methoxy-4-hydroxy-5-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | group_key=4-hydroxy-3-methoxy-5-nitrobenzaldehyde||dimension=Environmental > media=Water > water_body=Unknown; cas=6635-20-7; added Common Chemistry CAS names as altLabel: 3-Nitro-4-hydroxy-5-methoxybenzaldehyde, 4-Hydroxy-5-methoxy-3-nitrobenzaldehyde, 5-Nitro-4-hydroxy-3-methoxybenzaldehyde, Benzaldehyde, 4-hydroxy-3-methoxy-5-nitro-, NSC 16932, NSC 35352, Vanillin, 5-nitro-; object_uuid=fo-15a459f5b8288928 |
| 262,766 | consensus_match | cas_match_labels | — | {"6635-20-7":"exactMatch"} | group_key=4-hydroxy-3-methoxy-5-nitrobenzaldehyde||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'6635-20-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-15a459f5b8288928: {'6635-20-7': 'exactMatch'} |
| 273,581 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO5"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '5-Nitrovanillin' |
| 279,941 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO5"],… | rdkit_post_consensus from 'COc1cc(C=O)cc([N+](=O)[O-])c1O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,360 | strip_catalogue_altlabels | altLabel | [{"@value":"3-methoxy-4-hydroxy-5-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | [{"@value":"3-methoxy-4-hydroxy-5-nitrobenzaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | Removed 2 catalogue altLabel value(s): 'NSC 16932' (registry code), 'NSC 35352' (registry code) |
| 294,170 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0078e891-f237-… | associations resolved on the elementary layer |
| 305,667 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1413eb40-7d97-… | associations resolved on the elementary layer |
| 319,628 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3d9da864-6d2c-… | associations resolved on the elementary layer |
| 322,534 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/460b4044-babf-… | associations resolved on the elementary layer |
| 336,516 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/66cdd6e2-8522-… | associations resolved on the elementary layer |
| 340,747 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7504fa09-983f-… | associations resolved on the elementary layer |
| 343,266 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7d7ec07c-cd6a-… | associations resolved on the elementary layer |
| 353,979 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a18d5d5a-9bbd-… | associations resolved on the elementary layer |