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(Q33108774)
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English
(3S)-2,2-dimethyl-3-[(3Z,7E,11Z,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
squalane triterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
426.38616621999995
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(S)-2,3-epoxysqualene
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₃₀H₅₀O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC1OC1(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C=C(\C)CC/C=C(/C)CC[C@@H]1OC1(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15-,26-16+,27-20+,28-21-/t29-/m0/s1
0 references
InChIKey
QYIMSPSDBYKPPY-CBMIWKPVSA-N
0 references
Human Metabolome Database ID
HMDB0001188
reason for deprecated rank
cannot be confirmed by other sources
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