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(Q104965503)
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English
Aldehydomarrubialactone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7-methyl-3-oxo-7-[2-(5-oxo-2H-furan-3-yl)ethyl]-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-8-carbaldehyde
1 reference
based on heuristic
inferred from SMILES
mass
344.162373868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₄O₅
0 references
canonical SMILES
O=CC1CCC23C(=CCCC2C1(C)CCC4=CC(=O)OC4)C(=O)OC3
0 references
isomeric SMILES
C[C@]1(CCC2=CC(=O)OC2)[C@H](C=O)CC[C@]23COC(=O)C2=CCC[C@@H]31
0 references
found in taxon
Chaiturus marrubiastrum
1 reference
stated in
Über drei neue Diterpen-Derivate ausLeonurus marrubiastrum L., 2
Identifiers
InChI
InChI=1S/C20H24O5/c1-19(7-5-13-9-17(22)24-11-13)14(10-21)6-8-20-12-25-18(23)15(20)3-2-4-16(19)20/h3,9-10,14,16H,2,4-8,11-12H2,1H3/t14-,16+,19-,20-/m0/s1
0 references
InChIKey
CNAFIVGLVGXYEW-ZXUOCUECSA-N
0 references
PubChem CID
21721740
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
CNAFIVGLVGXYEW-ZXUOCUECSA-N
UniChem compound ID
65901104
1 reference
stated in
UniChem
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