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(Q77423241)
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T988 B
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
8-hydroxy-4-(hydroxymethyl)-9-(1H-indol-3-yl)-5-methyl-4,7-bis(methylsulfanyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
1 reference
based on heuristic
inferred from SMILES
mass
510.139547312
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₂₆N₄O₄S₂
0 references
canonical SMILES
O=C1N2C3NC=4C=CC=CC4C3(C5=CNC=6C=CC=CC65)C(O)C2(SC)C(=O)N(C)C1(SC)CO
0 references
isomeric SMILES
CN1C(=O)[C@]2([C@H]([C@]3([C@@H](N2C(=O)[C@]1(CO)SC)NC4=CC=CC=C43)C5=CNC6=CC=CC=C65)O)SC
0 references
found in taxon
Oidiodendron truncatum
1 reference
stated in
Cytotoxic metabolites from the antarctic psychrophilic fungus Oidiodendron truncatum
Tilachlidium
1 reference
stated in
Novel cytotoxic thiodiketopiperazine derivatives from a Tilachlidium sp.
Identifiers
InChI
InChI=1S/C25H26N4O4S2/c1-28-22(33)25(35-3)19(31)24(16-12-26-17-10-6-4-8-14(16)17)15-9-5-7-11-18(15)27-20(24)29(25)21(32)23(28,13-30)34-2/h4-12,19-20,26-27,30-31H,13H2,1-3H3/t19-,20+,23-,24+,25-/m0/s1
0 references
InChIKey
ZOGJUGRLERZFOU-DNRDEDMTSA-N
2 references
stated in
PubChem
PubChem CID
11375668
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
11375668
language of work or name
English
PubChem CID
11375668
2 references
stated in
PubChem
PubChem CID
11375668
language of work or name
English
matched by identifier from
InChIKey
InChIKey
ZOGJUGRLERZFOU-DNRDEDMTSA-N
ChEBI ID
205267
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C25H26N4O4S2/c1-28-22(33)25(35-3)19(31)24(16-12-26-17-10-6-4-8-14(16)17)15-9-5-7-11-18(15)27-20(24)29(25)21(32)23(28,13-30)34-2/h4-12,19-20,26-27,30-31H,13H2,1-3H3/t19-,20+,23-,24+,25-/m0/s1
UniChem compound ID
480784
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA008506
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZOGJUGRLERZFOU-DNRDEDMTSA-N
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