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(Q77490060)
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Gliocladine D
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
2-hydroxy-3-(1H-indol-3-yl)-14,19-dimethyl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-triene-13,18-dione
1 reference
based on heuristic
inferred from SMILES
mass
496.0697535
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
gliocladine D
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Gliocladine-D
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₃H₂₀N₄O₃S₃
0 references
canonical SMILES
O=C1N2C3NC=4C=CC=CC4C3(C5=CNC=6C=CC=CC65)C(O)C72SSSC1(N(C7=O)C)C
0 references
isomeric SMILES
C[C@]12C(=O)N3[C@@H]4[C@]([C@@H]([C@@]3(C(=O)N1C)SSS2)O)(C5=CC=CC=C5N4)C6=CNC7=CC=CC=C76
0 references
found in taxon
Clonostachys rosea
1 reference
stated in
Nematicidal epipolysulfanyldioxopiperazines from Gliocladium roseum
Gliocladium roseum
1 reference
stated in
Nematicidal epipolysulfanyldioxopiperazines from Gliocladium roseum
Identifiers
InChI
InChI=1S/C23H20N4O3S3/c1-21-19(29)27-18-22(13-8-4-6-10-16(13)25-18,14-11-24-15-9-5-3-7-12(14)15)17(28)23(27,32-33-31-21)20(30)26(21)2/h3-11,17-18,24-25,28H,1-2H3/t17-,18+,21-,22+,23-/m0/s1
0 references
InChIKey
FIIJQUIYIBLWOG-PHXJMUFTSA-N
2 references
stated in
PubChem
PubChem CID
71582616
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
71582616
language of work or name
English
PubChem CID
71582616
2 references
stated in
PubChem
PubChem CID
71582616
language of work or name
English
matched by identifier from
InChIKey
InChIKey
FIIJQUIYIBLWOG-PHXJMUFTSA-N
ChEBI ID
208765
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H20N4O3S3/c1-21-19(29)27-18-22(13-8-4-6-10-16(13)25-18,14-11-24-15-9-5-3-7-12(14)15)17(28)23(27,32-33-31-21)20(30)26(21)2/h3-11,17-18,24-25,28H,1-2H3/t17-,18+,21-,22+,23-/m0/s1
UniChem compound ID
34081513
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA009451
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FIIJQUIYIBLWOG-PHXJMUFTSA-N
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