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(Q105275475)
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English
(4S)-3-Oxo-4-benzyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbaldehyde
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-Oxo-4-benzyl-3,4-dihydro-1H-pyrrolo [2,1-c] oxazine-6-methylal
1 reference
based on heuristic
inferred from SMILES
mass
255.089543276
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₃NO₃
0 references
canonical SMILES
O=CC1=CC=C2N1C(C(=O)OC2)CC=3C=CC=CC3
0 references
isomeric SMILES
O=Cc1ccc2n1[C@@H](Cc1ccccc1)C(=O)OC2
0 references
found in taxon
Streptomyces albospinus
1 reference
stated in
Expanding the Chemical Repertoire of the Endophyte Streptomyces albospinus RLe7 Reveals Amphotericin B as an Inducer of a Fungal Phenotype.
Celastrus orbiculatus
1 reference
stated in
A new alkaloid from the fruits of Celastrus orbiculatus
Jishengella endophytica
1 reference
stated in
Alkaloids from the mangrove-derived actinomycete Jishengella endophytica 161111.
Identifiers
InChI
InChI=1S/C15H13NO3/c17-9-12-6-7-13-10-19-15(18)14(16(12)13)8-11-4-2-1-3-5-11/h1-7,9,14H,8,10H2/t14-/m0/s1
0 references
InChIKey
UMCJKAAHDXLKRZ-AWEZNQCLSA-N
0 references
PubChem CID
122389043
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UMCJKAAHDXLKRZ-AWEZNQCLSA-N
ChEBI ID
218470
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H13NO3/c17-9-12-6-7-13-10-19-15(18)14(16(12)13)8-11-4-2-1-3-5-11/h1-7,9,14H,8,10H2/t14-/m0/s1
UniChem compound ID
147834611
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA032482
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UMCJKAAHDXLKRZ-AWEZNQCLSA-N
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