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(Q75064024)
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English
Benzoxacystol
bioactive natural product
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
2-acetamido-3-(7-methoxy-2-methylidene-3-oxo-4H-1,4-benzoxazine-5-carbonyl)sulfanylpropanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
380.067821852
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₆N₂O₇S
0 references
canonical SMILES
C=C1Oc2cc(OC)cc(C(=O)SCC(NC(C)=O)C(=O)O)c2NC1=O
0 references
isomeric SMILES
CC(=O)N[C@@H](CSC(=O)C1=C2C(=CC(=C1)OC)OC(=C)C(=O)N2)C(=O)O
0 references
found in taxon
Streptomyces
2 references
stated in
Benzoxacystol, a benzoxazine-type enzyme inhibitor from the deep-sea strain Streptomyces sp. NTK 935.
stated in
Benzoxacystol, a benzoxazine-type enzyme inhibitor from the deep-sea strain Streptomyces sp. NTK 935.
Identifiers
InChI
InChI=1S/C16H16N2O7S/c1-7-14(20)18-13-10(4-9(24-3)5-12(13)25-7)16(23)26-6-11(15(21)22)17-8(2)19/h4-5,11H,1,6H2,2-3H3,(H,17,19)(H,18,20)(H,21,22)/t11-/m0/s1
0 references
InChIKey
YGSOEFLROPFWTN-NSHDSACASA-N
2 references
stated in
PubChem
PubChem CID
53327671
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
53327671
language of work or name
English
PubChem CID
53327671
2 references
stated in
PubChem
PubChem CID
53327671
language of work or name
English
matched by identifier from
InChIKey
InChIKey
YGSOEFLROPFWTN-NSHDSACASA-N
ChEBI ID
198994
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H16N2O7S/c1-7-14(20)18-13-10(4-9(24-3)5-12(13)25-7)16(23)26-6-11(15(21)22)17-8(2)19/h4-5,11H,1,6H2,2-3H3,(H,17,19)(H,18,20)(H,21,22)/t11-/m0/s1
UniChem compound ID
32739268
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA001676
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YGSOEFLROPFWTN-NSHDSACASA-N
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