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English
(11E/Z)-brefeldin A
group of stereoisomers
(1R,2R,3E,7S,13S,15S)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
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Statements
instance of
type of chemical entity
0 references
subclass of
macrolides
0 references
mass
280.167459248
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2-epi-brefeldin A
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
4-epi-15-epi-brefeldin A
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,2S,3E,7R,11E,13S,15S)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
7-epi-Brefeldin A
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,2E,7R,10E,12S,13S,15R)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one
1 reference
based on heuristic
inferred from InChI
brefeldin A
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₄O₄
0 references
canonical SMILES
O=C1OC(C)CCCC=CC2CC(O)CC2C(O)C=C1
0 references
isomeric SMILES
C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1
0 references
found in taxon
Penicillium brefeldianum
1 reference
stated in
Die Konstitution von Brefeldin A
Penicillium dodgei
1 reference
stated in
Die Konstitution von Brefeldin A
Identifiers
InChI
InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4?,8-7+/t11-,12+,13-,14+,15+/m0/s1
0 references
InChIKey
KQNZDYYTLMIZCT-JBQJALHGSA-N
2 references
stated in
PubChem
PubChem CID
133640201
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
133640201
language of work or name
English
PubChem CID
133640201
2 references
stated in
PubChem
PubChem CID
133640201
language of work or name
English
matched by identifier from
InChIKey
InChIKey
KQNZDYYTLMIZCT-JBQJALHGSA-N
UniChem compound ID
165805450
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA004530
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KQNZDYYTLMIZCT-JBQJALHGSA-N
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