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(Q105211902)
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English
(3aR,8aR)-Octahydro-5beta,6beta-epoxy-3beta,7beta-dimethyl-6-(3-oxo-1-butenyl)-2H-cyclohepta[b]furan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6,11-Dimethyl-5-(3-oxobut-1-enyl)-4,9-dioxatricyclo[6.3.0.03,5]undecan-10-one
1 reference
based on heuristic
inferred from SMILES
mass
264.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀O₄
0 references
canonical SMILES
O=C1OC2CC(C)C3(OC3CC2C1C)C=CC(=O)C
0 references
isomeric SMILES
CC(=O)/C=C/[C@@]12O[C@@H]1C[C@@H]1[C@H](C)C(=O)O[C@@H]1C[C@@H]2C
0 references
found in taxon
Xanthium pungens
2 references
stated in
Sesquiterpene lactones from Xanthium pungens
stated in
Sesquiterpene lactones from Xanthium pungens
Dittrichia graveolens
1 reference
stated in
Ichthyotoxic sesquiterpenes and xanthanolides from Dittrichia graveolens
Xanthium chinense
1 reference
stated in
Sesquiterpene lactones from Xanthium pungens
Xanthium strumarium
1 reference
stated in
Sesquiterpene lactones from Xanthium pungens
Identifiers
InChI
InChI=1S/C15H20O4/c1-8-6-12-11(10(3)14(17)18-12)7-13-15(8,19-13)5-4-9(2)16/h4-5,8,10-13H,6-7H2,1-3H3/b5-4+/t8-,10-,11+,12+,13+,15-/m0/s1
0 references
InChIKey
PNFGMIFHPGOUEO-MLZISUFGSA-N
0 references
PubChem CID
102056125
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
96590654
1 reference
stated in
UniChem
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