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(Q105199130)
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Discorhabdin Q
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pyrrolo[4,3,2-de]quinoline alkaloid
0 references
mass
410.96770966
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₀BrN₃O₂S
0 references
canonical SMILES
O=C1C=C2SC3NC=4C(=O)C5=NC=C6C=CNC(=C65)C4C2(C=C1Br)C3
0 references
isomeric SMILES
O=C1C=C2S[C@H]3C[C@]2(C=C1Br)c1c(c(=O)c2ncc4cc[nH]c1c42)N3
0 references
found in taxon
Latrunculia purpurea
1 reference
stated in
A new discorhabdin from two sponge genera
Zyzzya fuliginosa
1 reference
stated in
A new discorhabdin from two sponge genera
Identifiers
InChI
InChI=1S/C18H10BrN3O2S/c19-8-4-18-5-11(25-10(18)3-9(8)23)22-16-13(18)14-12-7(1-2-20-14)6-21-15(12)17(16)24/h1-4,6,11,20,22H,5H2/t11-,18-/m0/s1
0 references
InChIKey
OSOBJVBBIPUOIN-VOJFVSQTSA-N
0 references
PubChem CID
135419381
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OSOBJVBBIPUOIN-VOJFVSQTSA-N
UniChem compound ID
168139778
1 reference
stated in
UniChem
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