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(Q105350193)
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English
australone A
group of stereoisomers with the chemical formula C₂₅H₂₄O₆
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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
6C-substituted flavone
1 reference
inferred from
6C-substituted flavone
mass
420.15728848799984
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₂₄O₆
0 references
canonical SMILES
O=C1C=C(OC=2C=C3OC(C=CC3=C(O)C12)(C)CCC=C(C)C)C=4C=CC(O)=CC4O
0 references
Identifiers
InChI
InChI=1S/C25H24O6/c1-14(2)5-4-9-25(3)10-8-17-21(31-25)13-22-23(24(17)29)19(28)12-20(30-22)16-7-6-15(26)11-18(16)27/h5-8,10-13,26-27,29H,4,9H2,1-3H3
0 references
InChIKey
YLMPUSYATCNAJD-UHFFFAOYSA-N
0 references
PubChem CID
10669800
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YLMPUSYATCNAJD-UHFFFAOYSA-N
ChEBI ID
178579
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C25H24O6/c1-14(2)5-4-9-25(3)10-8-17-21(31-25)13-22-23(24(17)29)19(28)12-20(30-22)16-7-6-15(26)11-18(16)27/h5-8,10-13,26-27,29H,4,9H2,1-3H3
UniChem compound ID
32130691
1 reference
stated in
UniChem
LIPID MAPS ID
LMPK12110926
1 reference
InChIKey
YLMPUSYATCNAJD-UHFFFAOYSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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