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emamectin B1a
(Q27119776)
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From Wikidata
chemical compound
edit
Language
Label
Description
Also known as
default for all languages
No label defined
–
English
emamectin B1a
chemical compound
Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical structure
Emamectin B1a.svg
2,395 × 1,550; 59 KB
0 references
mass
885.523841±0
dalton
1 reference
stated in
PubChem
PubChem CID
11549937
language of work or name
English
title
CHEBI:39231
(English)
retrieved
6 October 2016
stereoisomer of
Emamectin B1A
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
emamectin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₉H₇₅NO₁₃
1 reference
stated in
PubChem
PubChem CID
11549937
language of work or name
English
title
CHEBI:39231
(English)
retrieved
6 October 2016
canonical 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)NC)OC)OC)C)C
1 reference
stated in
PubChem
PubChem CID
11549937
language of work or name
English
title
CHEBI:39231
(English)
retrieved
6 October 2016
isomeric SMILES
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)NC)OC)OC)\C)C
1 reference
stated in
PubChem
PubChem CID
11549937
language of work or name
English
title
CHEBI:39231
(English)
retrieved
6 October 2016
Identifiers
InChI
InChI=1S/C49H75NO13/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+/m0/s1
1 reference
stated in
PubChem
PubChem CID
11549937
language of work or name
English
title
CHEBI:39231
(English)
retrieved
6 October 2016
InChIKey
CXEGAUYXQAKHKJ-NSBHKLITSA-N
2 references
stated in
PubChem
PubChem CID
11549937
language of work or name
English
title
CHEBI:39231
(English)
retrieved
6 October 2016
stated in
ChEBI release 2020-09-01
ChemSpider ID
16738622
1 reference
stated in
ChemSpider
ChemSpider ID
16738622
language of work or name
English
title
(1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-[(2S)-2-Butanyl]-21',24'-dihydroxy-5,11',13',22'-tetramethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.
(English)
retrieved
6 October 2016
PubChem CID
11549937
2 references
stated in
PubChem
PubChem CID
11549937
language of work or name
English
title
CHEBI:39231
(English)
retrieved
6 October 2016
matched by identifier from
InChIKey
InChIKey
CXEGAUYXQAKHKJ-NSBHKLITSA-N
Reaxys registry number
8671728
1 reference
stated in
ChEBI
ChEBI ID
39231
language of work or name
English
title
emamectin B1a
(English)
retrieved
6 October 2016
ChEBI ID
39231
mapping relation type
exact match
2 references
stated in
ChEBI
ChEBI ID
39231
language of work or name
English
title
emamectin B1a
(English)
retrieved
6 October 2016
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C49H75NO13/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+/m0/s1
ChEMBL ID
CHEMBL1907098
1 reference
stated in
ChEMBL
ChEMBL ID
CHEMBL1907098
language of work or name
English
title
CHEMBL1907098
(English)
retrieved
6 October 2016
SureChEMBL ID
SCHEMBL229406
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CXEGAUYXQAKHKJ-NSBHKLITSA-N
UniChem compound ID
1101532
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Athens_Univ-AU263601
1 reference
InChIKey
CXEGAUYXQAKHKJ-NSBHKLITSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Athens_Univ-AU263602
1 reference
InChIKey
CXEGAUYXQAKHKJ-NSBHKLITSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Athens_Univ-AU263603
1 reference
InChIKey
CXEGAUYXQAKHKJ-NSBHKLITSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Athens_Univ-AU263605
1 reference
InChIKey
CXEGAUYXQAKHKJ-NSBHKLITSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Athens_Univ-AU263606
1 reference
InChIKey
CXEGAUYXQAKHKJ-NSBHKLITSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID301045898
1 reference
matched by identifier from
InChIKey
InChIKey
CXEGAUYXQAKHKJ-NSBHKLITSA-N
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