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avermectin B1a

UUID fe0acd60-3ddc-11dd-afb3-0050c2490048
Deprecated yes
Replaced By 08a91e70-3ddc-11dd-9c78-0050c2490048
Flow Object IDfo-db55ac8421d99ecb
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 65195-55-3
EC Numbers 265-610-3
prefLabel
Language Value Provenance
en avermectin B1a
altLabel ⓘ
Language Value Provenance
en (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside
en abamectin component B1a
en 5-<em>O</em>-Demethylavermectin A<sub>1a</sub>
en Abamectin B<sub>1a</sub>
en Abamectin component B<sub>1a</sub>
en Antibiotic C 076B<sub>1a</sub>
en Avermectin A<sub>1a</sub>, 5-<em>O</em>-demethyl-
en Avermectin B<sub>1a</sub>
en L 676863
en Spiro[11,15-methano-2<em>H</em>,13<em>H</em>,17<em>H</em>-furo[4,3,2-<em>pq</em>][2,6]benzodioxacyclooctadecin-13,2′-[2<em>H</em>]pyran], avermectin A<sub>1a</sub> deriv.
en Avermectin B1
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey RRZXIRBKKLTSOM-XPNPUAGNSA-N
InChI InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
IUPAC name (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-3,11',13',22'-tetramethyl-21',24'-bis(oxidanyl)spiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one, (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one, (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[[(2R,4S,5S,6S)-5-[[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-3,11',13',22'-tetramethyl-2'-spiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]one, (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-3,11',13',22'-tetramethyl-2-[(1S)-1-methylpropyl]spiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
Molecular formula C48H72O14
Molecular mass 873.09
Monoisotopic mass 872.49221
SMILES CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C, CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C, [H][C@@]12C/C=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3CO[C@]4([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O[C@@H](C1)C[C@]1(C=C[C@H](C)[C@@]([H])([C@@H](C)CC)O1)O2)[C@]34O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fe0acd60-3ddc-11dd-afb3-0050c2490048 avermectin B1

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=avermectinb1||dimension=Environmental > media=Ground > geography=Unknown; cas=65195-55-3; added Common Chemistry CAS names as altLabel: 5-<em>O</em>-Demethylavermectin A<sub>1a</sub>, Abamectin B<sub>1a</sub>, Abamectin component B<sub>1a</sub>, Antibiotic C 076B<sub>1a</sub>, Avermectin A<sub>1a</sub>, 5-<em>O</em>-demethyl-, Avermectin B<sub>1a</sub>, L 676863, Spiro[11,15-methano-2<em>H</em>,13<em>H</em>,17<em>H</em>-furo[4,3,2-<em>pq</em>][2,6]benzodioxacyclooctadecin-13,2′-[2<em>H</em>]pyran], avermectin A<sub>1a</sub> deriv.; object_uuid=fo-db55ac8421d99ecb
cas_match_labels 1 — consensus_match group_key=avermectinb1||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'65195-55-3': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-db55ac8421d99ecb: {'65195-55-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': "(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside", 'http://purl.obolibrary.org/obo/CHEBI_29534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Avermectin B1a', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Avermectin B1a', 'http://purl.obolibrary.org/obo/CHEBI_29534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'abamectin component B1a', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:abamectin component B1a', 'http://purl.obolibrary.org/obo/CHEBI_29534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': "(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside", 'http://purl.obolibrary.org/obo/CHEBI_29534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Avermectin B1a', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Avermectin B1a', 'http://purl.obolibrary.org/obo/CHEBI_29534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'abamectin component B1a', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:abamectin component B1a', 'http://purl.obolibrary.org/obo/CHEBI_29534', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-<em>O</em>-Demethylavermectin A<sub>1a</sub>', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65195-55-3', 'https://commonchemistry.cas.org/detail?cas_rn=65195-55-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Abamectin B<sub>1a</sub>', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65195-55-3', 'https://commonchemistry.cas.org/detail?cas_rn=65195-55-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Abamectin component B<sub>1a</sub>', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65195-55-3', 'https://commonchemistry.cas.org/detail?cas_rn=65195-55-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Antibiotic C 076B<sub>1a</sub>', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65195-55-3', 'https://commonchemistry.cas.org/detail?cas_rn=65195-55-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Avermectin A<sub>1a</sub>, 5-<em>O</em>-demethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65195-55-3', 'https://commonchemistry.cas.org/detail?cas_rn=65195-55-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Avermectin B<sub>1a</sub>', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65195-55-3', 'https://commonchemistry.cas.org/detail?cas_rn=65195-55-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'L 676863', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65195-55-3', 'https://commonchemistry.cas.org/detail?cas_rn=65195-55-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Spiro[11,15-methano-2<em>H</em>,13<em>H</em>,17<em>H</em>-furo[4,3,2-<em>pq</em>][2,6]benzodioxacyclooctadecin-13,2′-[2<em>H</em>]pyran], avermectin A<sub>1a</sub> deriv.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65195-55-3', 'https://commonchemistry.cas.org/detail?cas_rn=65195-55-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=avermectinb1||dimension=Environmental > media=Ground > geography=Unknown; cas=65195-55-3; added Common Chemistry CAS names as altLabel: 5-<em>O</em>-Demethylavermectin A<sub>1a</sub>, Abamectin B<sub>1a</sub>, Abamectin component B<sub>1a</sub>, Antibiotic C 076B<sub>1a</sub>, Avermectin A<sub>1a</sub>, 5-<em>O</em>-demethyl-, Avermectin B<sub>1a</sub>, L 676863, Spiro[11,15-methano-2<em>H</em>,13<em>H</em>,17<em>H</em>-furo[4,3,2-<em>pq</em>][2,6]benzodioxacyclooctadecin-13,2′-[2<em>H</em>]pyran], avermectin A<sub>1a</sub> deriv.; object_uuid=fo-db55ac8421d99ecb
cas_match_labels None {'65195-55-3': 'exactMatch'} group_key=avermectinb1||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'65195-55-3': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-db55ac8421d99ecb: {'65195-55-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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