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(Q105344546)
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English
2-[4a,8-dimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid
group of stereoisomers with the chemical formula C₂₁H₃₂O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
eudesmane sesquiterpenoid
1 reference
inferred from
eudesmane sesquiterpenoid
mass
412.209717984
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₂O₈
0 references
canonical SMILES
O=C(O)C(=C)C1C=C2C(C)CCCC2(C)C(OC3OC(CO)C(O)C(O)C3O)C1
0 references
found in taxon
Laggera pterodonta
1 reference
stated in
Eudesmane sesquiterpenes from Laggera pterodonta
Laggera crispata
1 reference
stated in
Eudesmane sesquiterpenes from Laggera pterodonta
Identifiers
InChI
InChI=1S/C21H32O8/c1-10-5-4-6-21(3)13(10)7-12(11(2)19(26)27)8-15(21)29-20-18(25)17(24)16(23)14(9-22)28-20/h7,10,12,14-18,20,22-25H,2,4-6,8-9H2,1,3H3,(H,26,27)
0 references
InChIKey
XYLGTYVCSSAKTM-UHFFFAOYSA-N
0 references
PubChem CID
85275887
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XYLGTYVCSSAKTM-UHFFFAOYSA-N
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