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(Q77381199)
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English
Epicoccin O
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
5,15-Dihydroxy-11-methylsulfanyl-21-thia-3,13-diazahexacyclo[15.3.1.01,13.03,11.04,9.014,19]henicosane-2,8,12,18-tetrone
1 reference
based on heuristic
inferred from SMILES
mass
438.091928424
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₂N₂O₆S₂
0 references
canonical SMILES
O=C1CCC(O)C2N3C(=O)C45SC6C(=O)C(C4)C(N5C(=O)C3(SC)CC12)C(O)C6
0 references
isomeric SMILES
CS[C@@]12C[C@@H]3[C@H](N1C(=O)[C@]45C[C@@H]6[C@H](N4C2=O)[C@H](C[C@@H](C6=O)S5)O)[C@H](CCC3=O)O
0 references
found in taxon
Epicoccum nigrum
2 references
stated in
Thiodiketopiperazines Produced by the Endophytic FungusEpicoccum nigrum
stated in
Thiodiketopiperazines Produced by the Endophytic FungusEpicoccum nigrum
Identifiers
InChI
InChI=1S/C19H22N2O6S2/c1-28-18-5-7-9(22)2-3-10(23)13(7)20(18)17(27)19-6-8-14(21(19)16(18)26)11(24)4-12(29-19)15(8)25/h7-8,10-14,23-24H,2-6H2,1H3/t7-,8+,10-,11-,12-,13-,14-,18+,19+/m0/s1
0 references
InChIKey
MIGDXSIYPPSPQT-VSVMUBLBSA-N
2 references
stated in
PubChem
PubChem CID
46873062
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
46873062
language of work or name
English
PubChem CID
46873062
2 references
stated in
PubChem
PubChem CID
46873062
language of work or name
English
matched by identifier from
InChIKey
InChIKey
MIGDXSIYPPSPQT-VSVMUBLBSA-N
ChEBI ID
203829
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H22N2O6S2/c1-28-18-5-7-9(22)2-3-10(23)13(7)20(18)17(27)19-6-8-14(21(19)16(18)26)11(24)4-12(29-19)15(8)25/h7-8,10-14,23-24H,2-6H2,1H3/t7-,8+,10-,11-,12-,13-,14-,18+,19+/m0/s1
UniChem compound ID
34438205
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA006843
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MIGDXSIYPPSPQT-VSVMUBLBSA-N
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