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(Q104402436)
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English
Annoreticuin
group of stereoisomers with the chemical formula C₃₅H₆₄O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
596.465204388
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₅H₆₄O₇
0 references
canonical SMILES
O=C1OC(C=C1CC(O)CCCCC(O)CCCCCC(O)C2OC(CC2)C(O)CCCCCCCCCCCC)C
0 references
Identifiers
InChI
InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(36)19-16-17-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3
0 references
InChIKey
KMWNDWVUJGIBII-UHFFFAOYSA-N
0 references
CAS Registry Number
142488-56-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
72778911
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
KMWNDWVUJGIBII-UHFFFAOYSA-N
UniChem compound ID
32008541
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201111587
1 reference
matched by identifier from
InChIKey
InChIKey
KMWNDWVUJGIBII-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0039605
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KMWNDWVUJGIBII-UHFFFAOYSA-N
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