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(Q104201136)
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English
4-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one
group of stereoisomers with the chemical formula C₂₀H₂₈O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
labdanes
1 reference
inferred from
labdanes
mass
332.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₄
0 references
canonical SMILES
O=C1OCC=C1C=CC2C(=C)CCC3C(C)(CO)C(O)CCC23C
0 references
found in taxon
Andrographis
1 reference
stated in
Minor diterpenoid constituents of Andrographis paniculata Nees
Andrographis paniculata
1 reference
stated in
A new ent-labdane diterpenoid from Andrographis paniculata
Identifiers
InChI
InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,9,15-17,21-22H,1,4,7-8,10-12H2,2-3H3
0 references
InChIKey
XMJAJFVLHDIEHF-UHFFFAOYSA-N
0 references
PubChem CID
4262071
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
68713097
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0244578
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XMJAJFVLHDIEHF-UHFFFAOYSA-N
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