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(Q105026223)
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English
momordol
group of stereoisomers with the chemical formula C₂₆H₄₈O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
440.6573
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₄₈O₅
0 references
canonical SMILES
O=C1C=CC(O)(C)C(C)(CCCC(C)CCC(C)C(O)CC(O)C(CO)CC)C1CC
0 references
Identifiers
InChI
InChI=1S/C26H48O5/c1-7-20(17-27)24(30)16-23(29)19(4)12-11-18(3)10-9-14-25(5)21(8-2)22(28)13-15-26(25,6)31/h13,15,18-21,23-24,27,29-31H,7-12,14,16-17H2,1-6H3
0 references
InChIKey
HDAGCVMZABLHLE-UHFFFAOYSA-N
0 references
PubChem CID
71308241
1 reference
based on heuristic
inferred from InChIKey
ChEBI ID
172680
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C26H48O5/c1-7-20(17-27)24(30)16-23(29)19(4)12-11-18(3)10-9-14-25(5)21(8-2)22(28)13-15-26(25,6)31/h13,15,18-21,23-24,27,29-31H,7-12,14,16-17H2,1-6H3
UniChem compound ID
32017798
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201029633
1 reference
matched by identifier from
InChIKey
InChIKey
HDAGCVMZABLHLE-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0029804
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HDAGCVMZABLHLE-UHFFFAOYSA-N
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