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(Q75067903)
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English
Epicoccin J
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
5,15-Dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icos-6-ene-2,8,12,18-tetrone
1 reference
based on heuristic
inferred from SMILES
mass
452.107578488
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Penicibrocazine E
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₄N₂O₆S₂
0 references
canonical SMILES
O=C1C=CC(O)C2N3C(=O)C4(SC)N(C(=O)C3(SC)CC12)C5C(O)CCC(=O)C5C4
0 references
isomeric SMILES
CS[C@@]12C[C@@H]3[C@H](N1C(=O)[C@@]4(C[C@@H]5[C@H](N4C2=O)[C@H](C=CC5=O)O)SC)[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/C20H24N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h3,5,9-10,13-16,25-26H,4,6-8H2,1-2H3/t9-,10-,13-,14-,15-,16-,19+,20+/m0/s1
0 references
InChIKey
QOXQVMHGUNMPOZ-RIJSRGPQSA-N
2 references
stated in
PubChem
PubChem CID
46873057
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
46873057
language of work or name
English
PubChem CID
46873057
2 references
stated in
PubChem
PubChem CID
46873057
language of work or name
English
matched by identifier from
InChIKey
InChIKey
QOXQVMHGUNMPOZ-RIJSRGPQSA-N
ChEBI ID
199813
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H24N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h3,5,9-10,13-16,25-26H,4,6-8H2,1-2H3/t9-,10-,13-,14-,15-,16-,19+,20+/m0/s1
UniChem compound ID
601216
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA002629
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QOXQVMHGUNMPOZ-RIJSRGPQSA-N
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