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(Q105265633)
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Cyclomammein
group of stereoisomers with the chemical formula C₂₂H₂₈O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
388.18858861599983
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₈O₆
0 references
canonical SMILES
O=C1OC2=C(C(O)=C3C(OC(C3)C(O)(C)C)=C2C(=C1)CCC)C(=O)CC(C)C
0 references
Identifiers
InChI
InChI=1S/C22H28O6/c1-6-7-12-9-16(24)28-21-17(12)20-13(10-15(27-20)22(4,5)26)19(25)18(21)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3
0 references
InChIKey
TVYLJAPSHFFCMT-UHFFFAOYSA-N
0 references
CAS Registry Number
30390-03-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
101967071
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
TVYLJAPSHFFCMT-UHFFFAOYSA-N
ChEBI ID
175940
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H28O6/c1-6-7-12-9-16(24)28-21-17(12)20-13(10-15(27-20)22(4,5)26)19(25)18(21)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3
UniChem compound ID
32001640
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501106242
1 reference
matched by identifier from
InChIKey
InChIKey
TVYLJAPSHFFCMT-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0030711
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TVYLJAPSHFFCMT-UHFFFAOYSA-N
KNApSAcK ID
C00054441
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TVYLJAPSHFFCMT-UHFFFAOYSA-N
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