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(Q77499259)
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Spirobrocazine C
bioactive natural product
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default values for all languages
No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
5'-[(2-hydroxyphenyl)methylidene]-3H-spiro[1-benzofuran-2,2'-pyrazine]-3',6'-diol
1 reference
based on heuristic
inferred from SMILES
mass
322.095356928
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₄N₂O₄
0 references
canonical SMILES
O=C1NC2(Cc3ccccc3O2)C(=O)NC1=Cc1ccccc1O
0 references
isomeric SMILES
C1C2=CC=CC=C2O[C@@]13C(=O)N/C(=C\C4=CC=CC=C4O)/C(=O)N3
0 references
found in taxon
Penicillium brocae
1 reference
stated in
Three Diketopiperazine Alkaloids with Spirocyclic Skeletons and One Bisthiodiketopiperazine Derivative from the Mangrove-Derived Endophytic Fungus Penicillium brocae MA-231.
Identifiers
InChI
InChI=1S/C18H14N2O4/c21-14-7-3-1-5-11(14)9-13-16(22)20-18(17(23)19-13)10-12-6-2-4-8-15(12)24-18/h1-9,21H,10H2,(H,19,23)(H,20,22)/b13-9-/t18-/m1/s1
0 references
InChIKey
OMZTVPPJRIMQEW-YVJSUPCUSA-N
2 references
stated in
PubChem
PubChem CID
132600336
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
132600336
language of work or name
English
PubChem CID
132600336
2 references
stated in
PubChem
PubChem CID
132600336
language of work or name
English
matched by identifier from
InChIKey
InChIKey
OMZTVPPJRIMQEW-YVJSUPCUSA-N
ChEBI ID
216322
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H14N2O4/c21-14-7-3-1-5-11(14)9-13-16(22)20-18(17(23)19-13)10-12-6-2-4-8-15(12)24-18/h1-9,21H,10H2,(H,19,23)(H,20,22)/b13-9-/t18-/m1/s1
UniChem compound ID
164514308
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA010888
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OMZTVPPJRIMQEW-YVJSUPCUSA-N
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