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(Q104937099)
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Turbinaric acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty acid
0 references
mass
400.334130648
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₄O₂
0 references
canonical SMILES
O=C(O)CCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C
0 references
isomeric SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC(=O)O
1 reference
based on heuristic
inferred from InChI
found in taxon
Phycomyces blakesleeanus
1 reference
stated in
Acidic metabolites from Phycomyces blakesleeanus
Turbinaria ornata
1 reference
stated in
Turbinaric acid, a cytotoxic secosqualene carboxylic acid from the brown alga Turbinaria ornata
Identifiers
InChI
InChI=1S/C27H44O2/c1-22(2)12-9-15-25(5)18-10-16-23(3)13-7-8-14-24(4)17-11-19-26(6)20-21-27(28)29/h12-14,18-19H,7-11,15-17,20-21H2,1-6H3,(H,28,29)/b23-13+,24-14+,25-18+,26-19+
0 references
InChIKey
BJHPHCBHTOHNEI-KDSGDVRDSA-N
0 references
PubChem CID
6438506
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
54407
1 reference
stated in
UniChem
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