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English
Tetrathioaspirochlorine
group of stereoisomers with the chemical formula C₁₂H₉ClN₂O₅S₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic 2,5-diketopiperazine
1 reference
inferred from
biogenic 2,5-diketopiperazine
mass
423.908283068
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₉ClN₂O₅S₄
0 references
canonical SMILES
CON1C(=O)C2NC(=O)C13Oc1cc(O)c(Cl)cc1C3SSSS2
0 references
isomeric SMILES
CON1C(=O)C2NC(=O)[C@@]13Oc1cc(O)c(Cl)cc1[C@@H]3SSSS2
0 references
found in taxon
Aspergillus flavus
1 reference
stated in
Aspirochlorine class compounds from Aspergillus flavus inhibit azole-resistant Candida albicans
Identifiers
InChI
InChI=1S/C12H9ClN2O5S4/c1-19-15-10(17)9-14-11(18)12(15)8(21-23-24-22-9)4-2-5(13)6(16)3-7(4)20-12/h2-3,8-9,16H,1H3,(H,14,18)/t8-,9?,12+/m0/s1
0 references
InChIKey
BYQXYZWYGWKZOQ-PFCYTDGNSA-N
0 references
PubChem CID
11510122
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BYQXYZWYGWKZOQ-PFCYTDGNSA-N
ChEBI ID
207918
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H9ClN2O5S4/c1-19-15-10(17)9-14-11(18)12(15)8(21-23-24-22-9)4-2-5(13)6(16)3-7(4)20-12/h2-3,8-9,16H,1H3,(H,14,18)/t8-,9?,12+/m0/s1
UniChem compound ID
634221
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA018082
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BYQXYZWYGWKZOQ-PFCYTDGNSA-N
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