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(Q105386851)
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English
2-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradecan-10-yl acetate
group of stereoisomers with the chemical formula C₁₇H₂₄O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
germacrane sesquiterpenoid
1 reference
inferred from
germacrane sesquiterpenoid
mass
324.15728848799995
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₄O₆
0 references
canonical SMILES
O=C1OC2C(OC(=O)C)C(C)CCCC3(OC3C(O)C2C1=C)C
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Identifiers
InChI
InChI=1S/C17H24O6/c1-8-6-5-7-17(4)15(23-17)12(19)11-9(2)16(20)22-14(11)13(8)21-10(3)18/h8,11-15,19H,2,5-7H2,1,3-4H3
0 references
InChIKey
ZZIWIHVMLLHIPS-UHFFFAOYSA-N
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CAS Registry Number
111545-48-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
14021261
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZZIWIHVMLLHIPS-UHFFFAOYSA-N
ChEBI ID
175142
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H24O6/c1-8-6-5-7-17(4)15(23-17)12(19)11-9(2)16(20)22-14(11)13(8)21-10(3)18/h8,11-15,19H,2,5-7H2,1,3-4H3
UniChem compound ID
32006438
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID101101488
1 reference
matched by identifier from
InChIKey
InChIKey
ZZIWIHVMLLHIPS-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0035357
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZZIWIHVMLLHIPS-UHFFFAOYSA-N
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