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(Q105186246)
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Z-coniosclerodinol
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
2,4-Dihydroxy-8-(4-hydroxy-3-methylbut-2-enoxy)-10-methyl-3-oxatricyclo[7.3.1.05,13]trideca-1,4,7,9(13),10-pentaene-6,12-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=C1C=C(OCC=C(C)CO)C2=C3C1=C(O)OC(O)=C3C(=O)C=C2C
0 references
isomeric SMILES
C/C(=C/COc1cc(=O)c2c(O)oc(O)c3c(=O)cc(C)c1c32)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/h3,5-6,19,22-23H,4,7H2,1-2H3/b8-3-
0 references
InChIKey
NVHZOIRAVVRHAC-BAQGIRSFSA-N
0 references
PubChem CID
136082750
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NVHZOIRAVVRHAC-BAQGIRSFSA-N
ChEBI ID
215775
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
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/h3,5-6,19,22-23H,4,7H2,1-2H3/b8-3-
UniChem compound ID
168314319
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA019557
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NVHZOIRAVVRHAC-BAQGIRSFSA-N
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