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Petasitenine

UUID fe0acd60-3ddc-11dd-9ed9-0050c2490048
Flow Object IDfo-ee5621b9282b4c92
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 60102-37-6
prefLabel
Language Value Provenance
en Petasitenine
altLabel
Language Value Provenance
en (1<em>R</em>,2′<em>R</em>,3′<em>R</em>,6<em>R</em>,7<em>R</em>)-7-Hydroxy-3′,6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2′-oxirane]-3,8,17-trione
en 4,8-Secosenecionan-8,11,16-trione, 15,20-epoxy-15,20-dihydro-12-hydroxy-4-methyl-, (15β,20<em>R</em>)-
en Fukinotoxin
en Fukinotoxin (neutral)
en NSC 279000
en NSC 288753
en Petasitenine (neutral)
en Spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2′-oxirane]-3,8,17-trione, 7-hydroxy-3′,6,7,14-tetramethyl-, (1<em>R</em>,2′<em>R</em>,3′<em>R</em>,6<em>R</em>,7<em>R</em>)-
en Spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2′-oxirane]-3,8,17-trione, 7-hydroxy-3′,6,7,14-tetramethyl-, [1<em>R</em>-[1<em>R</em>*,4<em>R</em>*(<em>R</em>*),6<em>R</em>*,7<em>R</em>*]]-
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey CZQLULNMKQAIQL-PFDMWMSASA-N
InChI InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12-,14-,18-,19-/m1/s1
IUPAC name (1R,3'R,4R,6R,7R,11Z)-3',6,7,14-tetramethyl-7-oxidanyl-spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione, (1R,3'R,4R,6R,7R,11Z)-7-hydroxy-3',6,7,14-tetramethyl-spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione, (1R,3'R,4R,6R,7R,11Z)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione
Molecular formula C19H27NO7
Molecular mass 381.425
Monoisotopic mass 381.17875
SMILES CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C, C[C@@H]1C[C@@]2([C@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@]1(C)O)C, C[C@@H]1C[C@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN(C)C/C=C(/COC(=O)[C@]1(C)O)C2=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fe0acd60-3ddc-11dd-9ed9-0050c2490048 petasitenine

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 petasitenine Emissions/Emissions to soil/Emissions to 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=petasitenine||dimension=Environmental > media=Air > indoor=Unknown; cas=60102-37-6; added Common Chemistry CAS names as altLabel: (1<em>R</em>,2′<em>R</em>,3′<em>R</em>,6<em>R</em>,7<em>R</em>)-7-Hydroxy-3′,6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2′-oxirane]-3,8,17-trione, 4,8-Secosenecionan-8,11,16-trione, 15,20-epoxy-15,20-dihydro-12-hydroxy-4-methyl-, (15β,20<em>R</em>)-, Fukinotoxin, Fukinotoxin (neutral), NSC 279000, NSC 288753, Petasitenine (neutral), Spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2′-oxirane]-3,8,17-trione, 7-hydroxy-3′,6,7,14-tetramethyl-, (1<em>R</em>,2′<em>R</em>,3′<em>R</em>,6<em>R</em>,7<em>R</em>)-, Spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2′-oxirane]-3,8,17-trione, 7-hydroxy-3′,6,7,14-tetramethyl-, [1<em>R</em>-[1<em>R</em>*,4<em>R</em>*(<em>R</em>*),6<em>R</em>*,7<em>R</em>*]]-; object_uuid=fo-ee5621b9282b4c92
cas_match_labels 1 consensus_match group_key=petasitenine||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'pubchem']; cas_sources={'60102-37-6': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ee5621b9282b4c92: {'60102-37-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(1<em>R</em>,2′<em>R</em>,3′<em>R</em>,6<em>R</em>,7<em>R</em>)-7-Hydroxy-3′,6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2′-oxirane]-3,8,17-trione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60102-37-6', 'https://commonchemistry.cas.org/detail?cas_rn=60102-37-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,8-Secosenecionan-8,11,16-trione, 15,20-epoxy-15,20-dihydro-12-hydroxy-4-methyl-, (15β,20<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60102-37-6', 'https://commonchemistry.cas.org/detail?cas_rn=60102-37-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fukinotoxin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60102-37-6', 'https://commonchemistry.cas.org/detail?cas_rn=60102-37-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fukinotoxin (neutral)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60102-37-6', 'https://commonchemistry.cas.org/detail?cas_rn=60102-37-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 279000', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60102-37-6', 'https://commonchemistry.cas.org/detail?cas_rn=60102-37-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 288753', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60102-37-6', 'https://commonchemistry.cas.org/detail?cas_rn=60102-37-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Petasitenine (neutral)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60102-37-6', 'https://commonchemistry.cas.org/detail?cas_rn=60102-37-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2′-oxirane]-3,8,17-trione, 7-hydroxy-3′,6,7,14-tetramethyl-, (1<em>R</em>,2′<em>R</em>,3′<em>R</em>,6<em>R</em>,7<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60102-37-6', 'https://commonchemistry.cas.org/detail?cas_rn=60102-37-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2′-oxirane]-3,8,17-trione, 7-hydroxy-3′,6,7,14-tetramethyl-, [1<em>R</em>-[1<em>R</em>*,4<em>R</em>*(<em>R</em>*),6<em>R</em>*,7<em>R</em>*]]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60102-37-6', 'https://commonchemistry.cas.org/detail?cas_rn=60102-37-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=petasitenine||dimension=Environmental > media=Air > indoor=Unknown; cas=60102-37-6; added Common Chemistry CAS names as altLabel: (1<em>R</em>,2′<em>R</em>,3′<em>R</em>,6<em>R</em>,7<em>R</em>)-7-Hydroxy-3′,6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2′-oxirane]-3,8,17-trione, 4,8-Secosenecionan-8,11,16-trione, 15,20-epoxy-15,20-dihydro-12-hydroxy-4-methyl-, (15β,20<em>R</em>)-, Fukinotoxin, Fukinotoxin (neutral), NSC 279000, NSC 288753, Petasitenine (neutral), Spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2′-oxirane]-3,8,17-trione, 7-hydroxy-3′,6,7,14-tetramethyl-, (1<em>R</em>,2′<em>R</em>,3′<em>R</em>,6<em>R</em>,7<em>R</em>)-, Spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2′-oxirane]-3,8,17-trione, 7-hydroxy-3′,6,7,14-tetramethyl-, [1<em>R</em>-[1<em>R</em>*,4<em>R</em>*(<em>R</em>*),6<em>R</em>*,7<em>R</em>*]]-; object_uuid=fo-ee5621b9282b4c92
cas_match_labels None {'60102-37-6': 'exactMatch'} group_key=petasitenine||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'pubchem']; cas_sources={'60102-37-6': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ee5621b9282b4c92: {'60102-37-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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