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(Q77510447)
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English
Mollisine
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic naphthochinone
0 references
mass
311.99561415999995
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₁₀Cl₂O₄
0 references
canonical SMILES
CC1=CC(=C2C(=O)C=C(C(=O)C2=C1C(=O)C(Cl)Cl)C)O
0 references
found in taxon
Mollisia caesia
2 references
stated in
A new, crystalline, antibiotic substance produced by Mollisia species (Discomycetes)
stated in
Mollisin, a dichloronaphthoquinone derivative produced by the fungus: Mollisia caesia
Mollisia
1 reference
stated in
X-Ray Structure Analysis and Spectroscopic Data of the Antibiotic 8-(Dichloroacetyl)-5-hydroxy-2,7-dimethyl-1,4-naphthoquinone from the Fungus Mollisia sp.*
Identifiers
InChI
InChI=1S/C14H10Cl2O4/c1-5-3-7(17)10-8(18)4-6(2)12(19)11(10)9(5)13(20)14(15)16/h3-4,14,17H,1-2H3
0 references
InChIKey
LBLPBDUCKUHMIA-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
99583
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
99583
language of work or name
English
CAS Registry Number
667-92-5
1 reference
InChIKey
LBLPBDUCKUHMIA-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=667-92-5
PubChem CID
99583
2 references
stated in
PubChem
PubChem CID
99583
language of work or name
English
matched by identifier from
InChIKey
InChIKey
LBLPBDUCKUHMIA-UHFFFAOYSA-N
ChEBI ID
225441
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C14H10Cl2O4/c1-5-3-7(17)10-8(18)4-6(2)12(19)11(10)9(5)13(20)14(15)16/h3-4,14,17H,1-2H3
UniChem compound ID
32926224
1 reference
stated in
UniChem
NMRShiftDB structure ID
20239850
1 reference
matched by identifier from
InChIKey
InChIKey
LBLPBDUCKUHMIA-UHFFFAOYSA-N
DSSTox substance ID
DTXSID80216849
1 reference
matched by identifier from
InChIKey
InChIKey
LBLPBDUCKUHMIA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60139340
0 references
NSC number
244389
0 references
KNApSAcK ID
C00049231
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LBLPBDUCKUHMIA-UHFFFAOYSA-N
Natural Product Atlas ID
NPA012679
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LBLPBDUCKUHMIA-UHFFFAOYSA-N
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