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(Q104980370)
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English
4-(hydroxymethyl)-1-methyl-7-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-2-one
group of stereoisomers with the chemical formula C₂₁H₃₆O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
guaiane sesquiterpenoid
1 reference
inferred from
guaiane sesquiterpenoid
mass
416.241018112
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₆O₈
0 references
canonical SMILES
O=C1CC2C(CO)CCC(CC2C1C)C(OC3OC(CO)C(O)C(O)C3O)(C)C
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/C21H36O8/c1-10-13-6-12(5-4-11(8-22)14(13)7-15(10)24)21(2,3)29-20-19(27)18(26)17(25)16(9-23)28-20/h10-14,16-20,22-23,25-27H,4-9H2,1-3H3
0 references
InChIKey
DHMIZXHFFCWELB-UHFFFAOYSA-N
0 references
PubChem CID
85323153
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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