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(Q105383077)
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English
Isootobanone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
9-(2H-1,3-benzodioxol-5-yl)-7,8-dimethyl-2H,7H,8H,9H-naphtho[1,2-d][1,3]dioxol-6-one
1 reference
based on heuristic
inferred from SMILES
mass
338.115423676
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Otobanone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₁₈O₅
0 references
canonical SMILES
O=C1C2=CC=C3OCOC3=C2C(C4=CC=C5OCOC5=C4)C(C)C1C
0 references
isomeric SMILES
C[C@@H]1C(=O)c2ccc3c(c2[C@@H](c2ccc4c(c2)OCO4)[C@@H]1C)OCO3
0 references
found in taxon
Chamaecyparis obtusa
1 reference
stated in
Three novel and one new lignan, chamaecypanones A, B, obtulignolide and isootobanone from the heartwood of Chamaecyparis obtusa var. formosana
Identifiers
InChI
InChI=1S/C20H18O5/c1-10-11(2)19(21)13-4-6-15-20(25-9-23-15)18(13)17(10)12-3-5-14-16(7-12)24-8-22-14/h3-7,10-11,17H,8-9H2,1-2H3/t10-,11+,17-/m1/s1
0 references
InChIKey
ZTOORMQTJNUZOQ-VGTOOOLASA-N
0 references
PubChem CID
101123626
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZTOORMQTJNUZOQ-VGTOOOLASA-N
UniChem compound ID
97035286
1 reference
stated in
UniChem
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