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(Q105179413)
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English
6,12-dihydroxy-8-{[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]oxy}-10-methyl-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6,12-dihydroxy-8-[(4-hydroxy-3-methylbut-2-en-1-yl)oxy]-10-methyl-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione
1 reference
based on heuristic
inferred from InChIKey
mass
344.089602852
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₆O₇
0 references
canonical SMILES
O=C1OC(=O)C=2C(O)=CC(=C3C(OCC=C(C)CO)=CC(O)=C1C23)C
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isomeric SMILES
C/C(=C\COc1cc(O)c2c3c(c(O)cc(C)c13)C(=O)OC2=O)CO
1 reference
based on heuristic
inferred from InChI
found in taxon
Coniothyrium cereale
1 reference
stated in
Antimicrobial phenalenone derivatives from the marine-derived fungus Coniothyrium cereale
Coniothyrium cerealis
1 reference
stated in
Antimicrobial phenalenone derivatives from the marine-derived fungus Coniothyrium cereale
Neosetophoma cerealis
1 reference
stated in
Antimicrobial phenalenone derivatives from the marine-derived fungus Coniothyrium cereale
Identifiers
InChI
InChI=1S/C18H16O7/c1-8(7-19)3-4-24-12-6-11(21)15-16-13(12)9(2)5-10(20)14(16)17(22)25-18(15)23/h3,5-6,19-21H,4,7H2,1-2H3/b8-3+
0 references
InChIKey
NHJQBXCLDCRFQD-FPYGCLRLSA-N
0 references
PubChem CID
51032476
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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