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(Q82921813)
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English
4,6-Dihydroxy-6,9-dimethyl-3-methylidene-3a,4,5,6,6a,7,9a,9b-octahydroazuleno[4,5-b]furan-2(3H)-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
guaiane sesquiterpenoid
0 references
mass
264.13615912
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₄
0 references
canonical SMILES
O=C1OC2C(C1=C)C(O)CC(O)(C)C3CC=C(C)C23
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Identifiers
InChI
InChI=1S/C15H20O4/c1-7-4-5-9-11(7)13-12(8(2)14(17)19-13)10(16)6-15(9,3)18/h4,9-13,16,18H,2,5-6H2,1,3H3
0 references
InChIKey
NKXCPQWCIOWQOE-UHFFFAOYSA-N
0 references
CAS Registry Number
21982-83-2
0 references
PubChem CID
99115
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NKXCPQWCIOWQOE-UHFFFAOYSA-N
UniChem compound ID
50680139
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80944574
0 references
DSSTOX compound identifier
DTXCID501372914
0 references
NSC number
180031
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