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(Q77508668)
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English
Citridone D
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
(2S,10R,12S)-2,11,12-trimethyl-5-phenyl-9,13,14-trioxa-7-azatetracyclo[9.2.1.0²,¹⁰.0³,⁸]tetradeca-3,5,7-trien-4-ol
1 reference
based on heuristic
inferred from SMILES
mass
325.131408088
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₁₉NO₄
0 references
canonical SMILES
OC1=C(C=NC=2OC3C4(OC(OC4C)C3(C21)C)C)C5=CC=CC=C5
0 references
isomeric SMILES
C[C@@H]1[C@@]2([C@@H]3[C@]([C@H](O1)O2)(C4=C(O3)NC=C(C4=O)C5=CC=CC=C5)C)C
0 references
found in taxon
Penicillium
1 reference
stated in
Fungal citridone D having a novel phenylfuropyridine skeleton
Identifiers
InChI
InChI=1S/C19H19NO4/c1-10-19(3)16-18(2,17(22-10)24-19)13-14(21)12(9-20-15(13)23-16)11-7-5-4-6-8-11/h4-10,16-17H,1-3H3,(H,20,21)/t10-,16+,17-,18-,19-/m1/s1
0 references
InChIKey
CDIRTKSHNLUOTQ-NEZXWZPGSA-N
2 references
stated in
PubChem
PubChem CID
139586544
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139586544
language of work or name
English
PubChem CID
139586544
2 references
stated in
PubChem
PubChem CID
139586544
language of work or name
English
matched by identifier from
InChIKey
InChIKey
CDIRTKSHNLUOTQ-NEZXWZPGSA-N
ChEBI ID
224225
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H19NO4/c1-10-19(3)16-18(2,17(22-10)24-19)13-14(21)12(9-20-15(13)23-16)11-7-5-4-6-8-11/h4-10,16-17H,1-3H3,(H,20,21)/t10-,16+,17-,18-,19-/m1/s1
UniChem compound ID
170909781
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA012395
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CDIRTKSHNLUOTQ-NEZXWZPGSA-N
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