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(Q105145323)
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English
Fruticolide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[5-[2-(furan-3-yl)ethyl]-4,5-dimethyl-2-oxospiro[4,5a,6,8,9,9a-hexahydro-3H-benzo[b]oxepine-7,2'-oxirane]-6-yl]methyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
390.20423868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₀O₆
0 references
canonical SMILES
O=C(OCC1C2C(OC(=O)CC(C)C2(C)CCC3=COC=C3)CCC41OC4)C
0 references
isomeric SMILES
CC(=O)OC[C@H]1[C@@H]2[C@H](CC[C@]13CO3)OC(=O)C[C@@H](C)[C@]2(C)CCc1ccoc1
0 references
found in taxon
Ferreyranthus fruticosus
1 reference
stated in
Lumiyomogin, ferreyrantholide, fruticolide and other sesquiterpene lactones from Ferreyranthus fruticosus
Teucrium fruticans
1 reference
stated in
Neo- and seco-neo-clerodane diterpenoids from Teucrium gracile and T. Fruticans
Identifiers
InChI
InChI=1S/C22H30O6/c1-14-10-19(24)28-18-5-8-22(13-27-22)17(12-26-15(2)23)20(18)21(14,3)7-4-16-6-9-25-11-16/h6,9,11,14,17-18,20H,4-5,7-8,10,12-13H2,1-3H3/t14-,17+,18+,20-,21+,22+/m1/s1
0 references
InChIKey
KRZVLMSVXFBWSP-LNDYOHEJSA-N
0 references
PubChem CID
101634640
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
96764576
1 reference
stated in
UniChem
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