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Benzomalvin B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkaloid
0 references
mass
379.132076784
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₁₇N₃O₂
0 references
canonical SMILES
O=C1C=2C=CC=CC2N=C3C(=CC=4C=CC=CC4)N(C(=O)C=5C=CC=CC5N13)C
0 references
isomeric SMILES
CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)/C1=C\c1ccccc1
1 reference
based on heuristic
inferred from InChI
found in taxon
Penicillium
4 references
stated in
Benzomalvins, new substance P inhibitors from a Penicillium sp
stated in
Benzomalvins, new substance P inhibitors from a Penicillium sp
stated in
Benzomalvins, new substance P inhibitors from a Penicillium sp
stated in
Benzomalvins, new substance P inhibitors from a Penicillium sp
Identifiers
InChI
InChI=1S/C24H17N3O2/c1-26-21(15-16-9-3-2-4-10-16)22-25-19-13-7-5-11-17(19)24(29)27(22)20-14-8-6-12-18(20)23(26)28/h2-15H,1H3/b21-15+
0 references
InChIKey
HXDZMNFJQNZXKW-RCCKNPSSSA-N
0 references
PubChem CID
6443512
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
217580
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H17N3O2/c1-26-21(15-16-9-3-2-4-10-16)22-25-19-13-7-5-11-17(19)24(29)27(22)20-14-8-6-12-18(20)23(26)28/h2-15H,1H3/b21-15+
UniChem compound ID
32047983
1 reference
stated in
UniChem
KNApSAcK ID
C00016957
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HXDZMNFJQNZXKW-RCCKNPSSSA-N
Natural Product Atlas ID
NPA019904
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HXDZMNFJQNZXKW-RCCKNPSSSA-N
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