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(Q105173948)
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English
Alkannin-beta-hydroxyisovalerate
group of stereoisomers with the chemical formula C₂₁H₂₄O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
2,6-dimethyloctane monoterpenoid
1 reference
inferred from
2,6-dimethyloctane monoterpenoid
biogenic naphthochinone
1 reference
inferred from
biogenic naphthochinone
mass
388.1522031079998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₄O₇
0 references
canonical SMILES
O=C1C=C(C(=O)C=2C(O)=CC=C(O)C12)C(OC(=O)CC(O)(C)C)CC=C(C)C
0 references
Identifiers
InChI
InChI=1S/C21H24O7/c1-11(2)5-8-16(28-17(25)10-21(3,4)27)12-9-15(24)18-13(22)6-7-14(23)19(18)20(12)26/h5-7,9,16,22-23,27H,8,10H2,1-4H3
0 references
InChIKey
MXANJRGHSFELEJ-UHFFFAOYSA-N
0 references
PubChem CID
100203
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MXANJRGHSFELEJ-UHFFFAOYSA-N
UniChem compound ID
34689275
1 reference
stated in
UniChem
NMRShiftDB structure ID
20167609
1 reference
matched by identifier from
InChIKey
InChIKey
MXANJRGHSFELEJ-UHFFFAOYSA-N
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