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Arthrinone
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
4,9,13-Trihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-trien-2-one
1 reference
based on heuristic
inferred from SMILES
mass
280.058302724
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₂O₇
0 references
canonical SMILES
O=C1C2=C(O)C=C(OC)C=C2C(O)C34OC14C(O)OC3
0 references
isomeric SMILES
COC1=CC2=C(C(=C1)O)C(=O)[C@]34[C@@H](OC[C@@]3([C@@H]2O)O4)O
0 references
found in taxon
Arthrinium
2 references
stated in
Arthrinone, a Novel Fungal Metabolite from Arthrinium sp. FA 1744
stated in
Arthrinone, a Novel Fungal Metabolite from Arthrinium sp. FA 1744
Cercophora sordarioides
2 references
stated in
New antifungal metabolites from the coprophilous fungus Cercophorasordarioides
stated in
New antifungal metabolites from the coprophilous fungus Cercophorasordarioides
Identifiers
InChI
InChI=1S/C13H12O7/c1-18-5-2-6-8(7(14)3-5)10(16)13-11(17)19-4-12(13,20-13)9(6)15/h2-3,9,11,14-15,17H,4H2,1H3/t9-,11-,12+,13+/m1/s1
0 references
InChIKey
OACKXIAQYYDGIK-XEZLXBQYSA-N
2 references
stated in
PubChem
PubChem CID
10446362
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
10446362
language of work or name
English
CAS Registry Number
162112-39-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
10446362
2 references
stated in
PubChem
PubChem CID
10446362
language of work or name
English
matched by identifier from
InChIKey
InChIKey
OACKXIAQYYDGIK-XEZLXBQYSA-N
ChEBI ID
218570
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H12O7/c1-18-5-2-6-8(7(14)3-5)10(16)13-11(17)19-4-12(13,20-13)9(6)15/h2-3,9,11,14-15,17H,4H2,1H3/t9-,11-,12+,13+/m1/s1
UniChem compound ID
27290932
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701119429
1 reference
matched by identifier from
InChIKey
InChIKey
OACKXIAQYYDGIK-XEZLXBQYSA-N
Natural Product Atlas ID
NPA015695
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OACKXIAQYYDGIK-XEZLXBQYSA-N
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