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(Q105147806)
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English
2-[(4-hydroxy-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
group of stereoisomers with the chemical formula C₂₁H₃₆O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
eudesmane sesquiterpenoid
1 reference
inferred from
eudesmane sesquiterpenoid
mass
400.246103492
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₆O₇
0 references
canonical SMILES
OCC1OC(OC2(C)CCC(O)C3(C)CCC(=C(C)C)CC23)C(O)C(O)C1O
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/C21H36O7/c1-11(2)12-5-7-20(3)14(9-12)21(4,8-6-15(20)23)28-19-18(26)17(25)16(24)13(10-22)27-19/h13-19,22-26H,5-10H2,1-4H3
0 references
InChIKey
KYNBODYQWKUALW-UHFFFAOYSA-N
0 references
PubChem CID
85283602
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KYNBODYQWKUALW-UHFFFAOYSA-N
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