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(Q82996931)
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English
Michefucscalide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(9-Hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl) acetate
1 reference
based on heuristic
inferred from SMILES
mass
306.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aS,4S,6aR,9R,9aS,9bS)-9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₂O₅
0 references
canonical SMILES
O=C1OC2C(C1=C)C(OC(=O)C)CC(=C)C3CCC(O)(C)C23
0 references
isomeric SMILES
CC(=O)O[C@H]1CC(=C)[C@@H]2CC[C@]([C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)(C)O
0 references
found in taxon
Liriodendron tulipifera
1 reference
stated in
Six Additional Sesquiterpene Lactones From Liriodendron tulipifera
Identifiers
InChI
InChI=1S/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h11-15,20H,1-2,5-7H2,3-4H3/t11-,12-,13+,14-,15-,17-/m0/s1
0 references
InChIKey
BOGLHGTVFPSTPV-XSNIPSOOSA-N
0 references
CAS Registry Number
82461-08-3
0 references
PubChem CID
133912
1 reference
matched by identifier from
InChIKey
InChIKey
BOGLHGTVFPSTPV-XSNIPSOOSA-N
UniChem compound ID
55657493
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID401002693
1 reference
matched by identifier from
InChIKey
InChIKey
BOGLHGTVFPSTPV-XSNIPSOOSA-N
DSSTOX compound identifier
DTXCID101429624
0 references
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