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(Q105146874)
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English
8-Hydroxy-8-(hydroxymethyl)-3-methyl-5-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,3,3a,4,5,6,7,8a-octahydroazulen-2-one
group of stereoisomers with the chemical formula C₂₁H₃₆O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
guaiane sesquiterpenoid
1 reference
inferred from
guaiane sesquiterpenoid
mass
432.235932732
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₆O₉
0 references
canonical SMILES
O=C1CC2C(CC(CCC2(O)CO)C(OC3OC(CO)C(O)C(O)C3O)(C)C)C1C
0 references
found in taxon
Atractylodes lancea
2 references
stated in
Glycosides of Atractylodes japonica
stated in
Glycosides of Atractylodes lancea
Atractylodes japonica
2 references
stated in
Glycosides of Atractylodes japonica
stated in
Glycosides of Atractylodes lancea
Identifiers
InChI
InChI=1S/C21H36O9/c1-10-12-6-11(4-5-21(28,9-23)13(12)7-14(10)24)20(2,3)30-19-18(27)17(26)16(25)15(8-22)29-19/h10-13,15-19,22-23,25-28H,4-9H2,1-3H3
0 references
InChIKey
KWDNQVRRYNIDTM-UHFFFAOYSA-N
0 references
PubChem CID
73118933
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KWDNQVRRYNIDTM-UHFFFAOYSA-N
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