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(Q105342737)
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English
Xiamenmycin D
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl 3-hydroxy-2-[[3-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-6-carbonyl]amino]butanoate
1 reference
based on heuristic
inferred from SMILES
mass
405.215137712
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (2S,3R)-3-hydroxy-2-[[(2S,3S)-3-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-6-carbonyl]amino]butanoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₁NO₆
0 references
canonical SMILES
COC(=O)C(NC(=O)c1ccc2c(c1)CC(O)C(C)(CCC=C(C)C)O2)C(C)O
0 references
isomeric SMILES
COC(=O)[C@@H](NC(=O)c1ccc2c(c1)C[C@H](O)[C@@](C)(CCC=C(C)C)O2)[C@@H](C)O
0 references
found in taxon
Streptomyces xiamenensis
1 reference
stated in
Identification and characterization of an anti-fibrotic benzopyran compound isolated from mangrove-derived Streptomyces xiamenensis
Identifiers
InChI
InChI=1S/C22H31NO6/c1-13(2)7-6-10-22(4)18(25)12-16-11-15(8-9-17(16)29-22)20(26)23-19(14(3)24)21(27)28-5/h7-9,11,14,18-19,24-25H,6,10,12H2,1-5H3,(H,23,26)/t14-,18+,19+,22-/m1/s1
0 references
InChIKey
XUZVOJITPJGHEG-LJRRSDMTSA-N
0 references
PubChem CID
139588677
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XUZVOJITPJGHEG-LJRRSDMTSA-N
ChEBI ID
218497
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H31NO6/c1-13(2)7-6-10-22(4)18(25)12-16-11-15(8-9-17(16)29-22)20(26)23-19(14(3)24)21(27)28-5/h7-9,11,14,18-19,24-25H,6,10,12H2,1-5H3,(H,23,26)/t14-,18+,19+,22-/m1/s1
UniChem compound ID
170911650
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA020083
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XUZVOJITPJGHEG-LJRRSDMTSA-N
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