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(Q105130560)
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English
2beta-Acetoxy-3-oxoeremophila-1(10),11(13)-dien-12-oic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(6-Acetyloxy-8,8a-dimethyl-7-oxo-1,2,3,4,6,8-hexahydronaphthalen-2-yl)prop-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
306.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₂O₅
0 references
canonical SMILES
O=C(O)C(=C)C1CCC2=CC(OC(=O)C)C(=O)C(C)C2(C)C1
0 references
isomeric SMILES
C=C(C(=O)O)[C@@H]1CCC2=C[C@H](OC(C)=O)C(=O)[C@H](C)[C@@]2(C)C1
0 references
found in taxon
Haeckeria pholidota
2 references
stated in
Eremophilane derivatives and other constituents from Haeckeria species and further Australian inuleae
stated in
Kaurane succinates and prenylated aromatics from Odixia angusta and Ozothamnus obcordatus
Haeckeria punctulata
1 reference
stated in
Eremophilane derivatives and other constituents from Haeckeria species and further Australian inuleae
Identifiers
InChI
InChI=1S/C17H22O5/c1-9(16(20)21)12-5-6-13-7-14(22-11(3)18)15(19)10(2)17(13,4)8-12/h7,10,12,14H,1,5-6,8H2,2-4H3,(H,20,21)/t10-,12+,14-,17+/m0/s1
0 references
InChIKey
JKWVGSLQMFMFGK-PUKHHJTISA-N
0 references
PubChem CID
15699279
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JKWVGSLQMFMFGK-PUKHHJTISA-N
UniChem compound ID
97194416
1 reference
stated in
UniChem
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