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(Q77567082)
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English
Chlorohydroaspyrone B
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
5-(2-Chloro-1-hydroxypropyl)-3-hydroxy-2-methyl-2,3-dihydropyran-6-one
1 reference
based on heuristic
inferred from SMILES
mass
220.050236576
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2R,3S)-5-[(1S,2R)-2-chloro-1-hydroxypropyl]-3-hydroxy-2-methyl-2,3-dihydropyran-6-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₁₃ClO₄
0 references
canonical SMILES
O=C1OC(C)C(O)C=C1C(O)C(Cl)C
0 references
isomeric SMILES
C[C@@H]1[C@H](C=C(C(=O)O1)[C@@H]([C@H](C)Cl)O)O
0 references
found in taxon
Exophiala
1 reference
stated in
Chlorohydroaspyrones A and B, antibacterial aspyrone derivatives from the marine-derived fungus Exophiala sp.
Identifiers
InChI
InChI=1S/C9H13ClO4/c1-4(10)8(12)6-3-7(11)5(2)14-9(6)13/h3-5,7-8,11-12H,1-2H3/t4-,5+,7-,8+/m0/s1
0 references
InChIKey
RFRJSDLXLVSACH-UGSJSWHKSA-N
2 references
stated in
PubChem
PubChem CID
25016145
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
25016145
language of work or name
English
PubChem CID
25016145
2 references
stated in
PubChem
PubChem CID
25016145
language of work or name
English
matched by identifier from
InChIKey
InChIKey
RFRJSDLXLVSACH-UGSJSWHKSA-N
ChEBI ID
218838
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C9H13ClO4/c1-4(10)8(12)6-3-7(11)5(2)14-9(6)13/h3-5,7-8,11-12H,1-2H3/t4-,5+,7-,8+/m0/s1
UniChem compound ID
162056
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA015745
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RFRJSDLXLVSACH-UGSJSWHKSA-N
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