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(Q105275809)
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English
5,6-bis(hydroxymethyl)-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulen-4-ol
group of stereoisomers with the chemical formula C₁₅H₂₆O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
lactarane sesquiterpenoid
1 reference
inferred from
lactarane sesquiterpenoid
mass
254.188194692
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₆O₃
0 references
canonical SMILES
OCC1=CC(C)C2CC(C)(C)CC2C(O)C1CO
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Identifiers
InChI
InChI=1S/C15H26O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,9,11-14,16-18H,5-8H2,1-3H3
0 references
InChIKey
UMXJEXAFNWMBJX-UHFFFAOYSA-N
0 references
PubChem CID
14109856
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UMXJEXAFNWMBJX-UHFFFAOYSA-N
ChEBI ID
168302
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H26O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,9,11-14,16-18H,5-8H2,1-3H3
UniChem compound ID
32005719
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0035780
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UMXJEXAFNWMBJX-UHFFFAOYSA-N
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