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(Q105151057)
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Subergorgic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,5,9-Trimethyl-11-oxotricyclo[6.3.0.01,5]undec-3-ene-3-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
248.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Lfksrwrszvclfj-cpwyhzlmsa-
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₃
0 references
canonical SMILES
O=C(O)C1=CC2(C)CCC3C(C)CC(=O)C32C1C
0 references
isomeric SMILES
C[C@@H]1CC(=O)[C@]23[C@H]1CC[C@@]2(C)C=C(C(=O)O)[C@@H]3C
0 references
found in taxon
Isis hippuris
1 reference
stated in
New cytotoxic sesquiterpenes from the gorgonian Isis hippuris
Subergorgia suberosa
1 reference
stated in
Two new subergane-based sesquiterpenes from a Taiwanese Gorgonian coral Subergorgia suberosa
Identifiers
InChI
InChI=1S/C15H20O3/c1-8-6-12(16)15-9(2)10(13(17)18)7-14(15,3)5-4-11(8)15/h7-9,11H,4-6H2,1-3H3,(H,17,18)/t8-,9+,11+,14+,15+/m1/s1
0 references
InChIKey
LFKSRWRSZVCLFJ-VDHTUSMASA-N
0 references
PubChem CID
11054000
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LFKSRWRSZVCLFJ-VDHTUSMASA-N
UniChem compound ID
31643
1 reference
stated in
UniChem
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