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(Q77502549)
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Citrifelin B
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3-(4-Hydroxy-3-methoxyphenyl)-7,8,10-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(13),9,11-trien-11-ol
1 reference
based on heuristic
inferred from SMILES
mass
356.162373868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₄O₅
0 references
canonical SMILES
OC1=CC=C(C=C1OC)C2OC3=CC(O)=C(C4=C3C(OC(C)C4C)C2)C
0 references
isomeric SMILES
C[C@@H]1[C@H](O[C@@H]2C[C@@H](OC3=C2C1=C(C(=C3)O)C)C4=CC(=C(C=C4)O)OC)C
0 references
found in taxon
Penicillium citrinum
1 reference
stated in
Citrifelins A and B, Citrinin Adducts with a Tetracyclic Framework from Cocultures of Marine-Derived Isolates of Penicillium citrinum and Beauveria felina.
Beauveria felina
1 reference
stated in
Citrifelins A and B, Citrinin Adducts with a Tetracyclic Framework from Cocultures of Marine-Derived Isolates of Penicillium citrinum and Beauveria felina.
Identifiers
InChI
InChI=1S/C21H24O5/c1-10-12(3)25-19-9-16(13-5-6-14(22)17(7-13)24-4)26-18-8-15(23)11(2)20(10)21(18)19/h5-8,10,12,16,19,22-23H,9H2,1-4H3/t10-,12-,16-,19-/m1/s1
0 references
InChIKey
VLLDKCORIPYEDM-ILKIAPMBSA-N
2 references
stated in
PubChem
PubChem CID
122187807
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
122187807
language of work or name
English
PubChem CID
122187807
2 references
stated in
PubChem
PubChem CID
122187807
language of work or name
English
matched by identifier from
InChIKey
InChIKey
VLLDKCORIPYEDM-ILKIAPMBSA-N
ChEBI ID
219077
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H24O5/c1-10-12(3)25-19-9-16(13-5-6-14(22)17(7-13)24-4)26-18-8-15(23)11(2)20(10)21(18)19/h5-8,10,12,16,19,22-23H,9H2,1-4H3/t10-,12-,16-,19-/m1/s1
UniChem compound ID
147875149
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA011408
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VLLDKCORIPYEDM-ILKIAPMBSA-N
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