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(Q82988802)
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Ivalbin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3aR,7S,8aS)-6-(1,3-dihydroxybutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
266.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂O₄
0 references
canonical SMILES
O=C1OC2CC(C(=CCC2C1=C)C(O)CC(O)C)C
0 references
found in taxon
Pulicaria undulata
1 reference
stated in
Rare hydroperoxyl guaianolide sesquiterpenes from Pulicaria undulata
Helianthopsis
1 reference
stated in
Sesquiterpene lactones and benzofurans in glandular trichomes of three Pappobolus species
Pappobolus sagasteguii
1 reference
stated in
Sesquiterpene lactones and benzofurans in glandular trichomes of three Pappobolus species
Xanthium spinosum
1 reference
stated in
Xanthanolides from Xanthium spinosum
Identifiers
InChI
InChI=1S/C15H22O4/c1-8-6-14-12(10(3)15(18)19-14)5-4-11(8)13(17)7-9(2)16/h4,8-9,12-14,16-17H,3,5-7H2,1-2H3
0 references
InChIKey
TVKYSIIBPQZNFW-UHFFFAOYSA-N
0 references
CAS Registry Number
7544-65-2
0 references
PubChem CID
286755
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TVKYSIIBPQZNFW-UHFFFAOYSA-N
UniChem compound ID
27240494
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80996891
1 reference
matched by identifier from
InChIKey
InChIKey
TVKYSIIBPQZNFW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID601423902
0 references
NSC number
145904
0 references
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