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(Q113958767)
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English
(1R,4R,7R,9S)-4-benzyl-16-methyl-9-(2-methylbut-3-en-2-yl)-5-oxa-2,16-diazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-triene-3,6-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
416.209992756
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₂₈N₂O₃
0 references
canonical SMILES
O=C1OC(C(=O)N2C1CC3(C=4C=CC=CC4N(C)C23)C(C=C)(C)C)CC=5C=CC=CC5
0 references
isomeric SMILES
C=CC(C)(C)[C@]12C[C@@H]3C(=O)O[C@H](Cc4ccccc4)C(=O)N3[C@H]1N(C)c1ccccc12
0 references
found in taxon
Aspergillus aculeatus
1 reference
stated in
Dereplication Guided Discovery of Secondary Metabolites of Mixed Biosynthetic Origin from Aspergillus aculeatus
Identifiers
InChI
InChI=1S/C26H28N2O3/c1-5-25(2,3)26-16-20-23(30)31-21(15-17-11-7-6-8-12-17)22(29)28(20)24(26)27(4)19-14-10-9-13-18(19)26/h5-14,20-21,24H,1,15-16H2,2-4H3/t20-,21-,24-,26+/m1/s1
0 references
InChIKey
HZOLEYOVBYTDAS-LUHVKKMXSA-N
0 references
PubChem CID
169492067
1 reference
matched by identifier from
InChIKey
InChIKey
HZOLEYOVBYTDAS-LUHVKKMXSA-N
ChEBI ID
220088
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C26H28N2O3/c1-5-25(2,3)26-16-20-23(30)31-21(15-17-11-7-6-8-12-17)22(29)28(20)24(26)27(4)19-14-10-9-13-18(19)26/h5-14,20-21,24H,1,15-16H2,2-4H3/t20-,21-,24-,26+/m1/s1
Natural Product Atlas ID
NPA032821
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HZOLEYOVBYTDAS-LUHVKKMXSA-N
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