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(Q105350881)
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English
(3aS,4S,4aS,5R,8R,8aR,9aS)-4,5,8-trihydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4,5,8-Trihydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
1 reference
based on heuristic
inferred from SMILES
mass
282.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂O₅
0 references
canonical SMILES
O=C1OC2CC3(C)C(O)CCC(O)(C)C3C(O)C2C1=C
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2C[C@]3(C)[C@@H]([C@@H](O)[C@H]12)[C@](C)(O)CC[C@H]3O
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found in taxon
Cota palaestina
1 reference
stated in
Sesquiterpene Lactones fromAnthemis melanolepisand Their Antibacterial and Cytotoxic Activities. Prediction of Their Pharmacokinetic Profile
Anthemis ruthenica
1 reference
stated in
Sesquiterpene lactones and flavonoids from Anthemis ruthenica growing wild in Serbia
Tanacetum densum
1 reference
stated in
Sesquiterpene lactones from Tanacetum densum subsp. amani
Identifiers
InChI
InChI=1S/C15H22O5/c1-7-10-8(20-13(7)18)6-14(2)9(16)4-5-15(3,19)12(14)11(10)17/h8-12,16-17,19H,1,4-6H2,2-3H3/t8-,9+,10+,11-,12+,14-,15+/m0/s1
0 references
InChIKey
YNCHLEJLXQWTIT-OLZLDLMTSA-N
0 references
PubChem CID
46881108
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
250489
1 reference
stated in
UniChem
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