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(Q110170589)
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Truncateol Q
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
9-(2-Hydroxypropan-2-yl)-5-(3-methylbut-2-enylidene)-2,8-dioxatricyclo[5.3.0.01,3]decan-4-ol
1 reference
based on heuristic
inferred from SMILES
(3S,4R,5Z,7S,9R)-9-(2-hydroxypropan-2-yl)-5-(3-methylbut-2-en-1-ylidene)-2,8-dioxatricyclo[5.3.0.0¹,³]decan-4-ol
1 reference
based on heuristic
inferred from SMILES
mass
280.167459248
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,3S,4R,5Z,7S,9R)-9-(2-hydroxypropan-2-yl)-5-(3-methylbut-2-enylidene)-2,8-dioxatricyclo[5.3.0.01,3]decan-4-ol
1 reference
based on heuristic
inferred from InChI
Pestalotheol C
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₄O₄
0 references
canonical SMILES
OC1C(=CC=C(C)C)CC2OC(CC32OC13)C(O)(C)C
0 references
isomeric SMILES
CC(C)=C/C=C1/C[C@@H]2O[C@@H](C(C)(C)O)C[C@]23O[C@@H]3[C@@H]1O
0 references
found in taxon
Truncatella angustata
1 reference
stated in
Truncateols O-V, further isoprenylated cyclohexanols from the sponge-associated fungus Truncatella angustata with antiviral activities
Identifiers
InChI
InChI=1S/C16H24O4/c1-9(2)5-6-10-7-11-16(14(20-16)13(10)17)8-12(19-11)15(3,4)18/h5-6,11-14,17-18H,7-8H2,1-4H3/b10-6-/t11-,12+,13+,14+,16-/m0/s1
0 references
InChIKey
FWSQMPDAXKALDF-ALRYNZELSA-N
0 references
PubChem CID
156581637
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FWSQMPDAXKALDF-ALRYNZELSA-N
ChEBI ID
207992
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H24O4/c1-9(2)5-6-10-7-11-16(14(20-16)13(10)17)8-12(19-11)15(3,4)18/h5-6,11-14,17-18H,7-8H2,1-4H3/b10-6-/t11-,12+,13+,14+,16-/m0/s1
Natural Product Atlas ID
NPA030605
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FWSQMPDAXKALDF-ALRYNZELSA-N
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