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Brucine

UUID 30e5b96b-42bc-49bf-91e0-84b316c41931
Flow Object IDfo-48d1afbb9658bce7
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 357-57-3
EC Numbers 206-614-7
prefLabel
Language Value Provenance
en Brucine
altLabel ⓘ
Language Value Provenance
en (-)-Brucine
en 2,3-Dimethoxystrychnidin-10-one
en 2,3-Dimethoxystrychnine
en 4,6-Methano-6<em>H</em>,14<em>H</em>-indolo[3,2,1-<em>ij</em>]oxepino[2,3,4-<em>de</em>]pyrrolo[2,3-<em>h</em>]quinoline, strychnidin-10-one deriv.
en <em>l</em>-Brucine
en Strychnidin-10-one, 2,3-dimethoxy-
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey RRKTZKIUPZVBMF-IBTVXLQLSA-N
InChI InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1
IUPAC name (4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Molecular formula C23H26N2O4
Molecular mass 394.471
Monoisotopic mass 394.18926
SMILES COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC, COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC, [H][C@@]12N3C(=O)C[C@]4([H])OCC=C5CN6CC[C@@]1(c1cc(OC)c(OC)cc13)[C@]6([H])C[C@]5([H])[C@]24[H]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 30e5b96b-42bc-49bf-91e0-84b316c41931 brucine

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 brucine Emissions/Emissions to soil/Emissions to non-agricultural soil kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=brucine||dimension=Environmental > media=Air > strata=Unknown; cas=357-57-3; added Common Chemistry CAS names as altLabel: (-)-Brucine, 2,3-Dimethoxystrychnidin-10-one, 2,3-Dimethoxystrychnine, 4,6-Methano-6<em>H</em>,14<em>H</em>-indolo[3,2,1-<em>ij</em>]oxepino[2,3,4-<em>de</em>]pyrrolo[2,3-<em>h</em>]quinoline, strychnidin-10-one deriv., <em>l</em>-Brucine, Strychnidin-10-one, 2,3-dimethoxy-; object_uuid=fo-48d1afbb9658bce7
cas_match_labels 1 — consensus_match group_key=brucine||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'357-57-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48d1afbb9658bce7: {'357-57-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(-)-Brucine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:357-57-3', 'https://commonchemistry.cas.org/detail?cas_rn=357-57-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,3-Dimethoxystrychnidin-10-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:357-57-3', 'https://commonchemistry.cas.org/detail?cas_rn=357-57-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,3-Dimethoxystrychnine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:357-57-3', 'https://commonchemistry.cas.org/detail?cas_rn=357-57-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,6-Methano-6<em>H</em>,14<em>H</em>-indolo[3,2,1-<em>ij</em>]oxepino[2,3,4-<em>de</em>]pyrrolo[2,3-<em>h</em>]quinoline, strychnidin-10-one deriv.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:357-57-3', 'https://commonchemistry.cas.org/detail?cas_rn=357-57-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>l</em>-Brucine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:357-57-3', 'https://commonchemistry.cas.org/detail?cas_rn=357-57-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Strychnidin-10-one, 2,3-dimethoxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:357-57-3', 'https://commonchemistry.cas.org/detail?cas_rn=357-57-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=brucine||dimension=Environmental > media=Air > strata=Unknown; cas=357-57-3; added Common Chemistry CAS names as altLabel: (-)-Brucine, 2,3-Dimethoxystrychnidin-10-one, 2,3-Dimethoxystrychnine, 4,6-Methano-6<em>H</em>,14<em>H</em>-indolo[3,2,1-<em>ij</em>]oxepino[2,3,4-<em>de</em>]pyrrolo[2,3-<em>h</em>]quinoline, strychnidin-10-one deriv., <em>l</em>-Brucine, Strychnidin-10-one, 2,3-dimethoxy-; object_uuid=fo-48d1afbb9658bce7
cas_match_labels None {'357-57-3': 'exactMatch'} group_key=brucine||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'357-57-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48d1afbb9658bce7: {'357-57-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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