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(Q104193254)
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English
(c)(1/2)-Tocotrienol pound>>Tocotrienol, delta
group of stereoisomers with the chemical formula C₂₇H₄₀O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chromane
1 reference
inferred from
chromane
mass
396.30283052
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₀O₂
0 references
canonical SMILES
OC=1C=C(C=2OC(C)(CCC=C(C)CCC=C(C)CCC=C(C)C)CCC2C1)C
0 references
found in taxon
Iryanthera lancifolia
1 reference
stated in
Butanolides as a common feature of iryanthera lancifolia and virola surinamensis
Identifiers
InChI
InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3
0 references
InChIKey
ODADKLYLWWCHNB-UHFFFAOYSA-N
0 references
PubChem CID
53394607
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ODADKLYLWWCHNB-UHFFFAOYSA-N
UniChem compound ID
25567141
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN_ReSpect-PS125801
1 reference
InChIKey
ODADKLYLWWCHNB-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS125802
1 reference
InChIKey
ODADKLYLWWCHNB-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS125803
1 reference
InChIKey
ODADKLYLWWCHNB-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PT112580
1 reference
InChIKey
ODADKLYLWWCHNB-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0242544
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ODADKLYLWWCHNB-UHFFFAOYSA-N
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