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English
1alpha-O-Methylquassin
group of stereoisomers with the chemical formula C₂₃H₃₂O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
picrasane
1 reference
inferred from
picrasane
mass
404.21988874399983
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₃H₃₂O₆
0 references
canonical SMILES
O=C1OC2CC3C(C=C(OC)C(OC)C3(C)C4C(=O)C(OC)=C(C)C(C1)C24C)C
0 references
Identifiers
InChI
InChI=1S/C23H32O6/c1-11-8-15(26-5)21(28-7)23(4)13(11)9-16-22(3)14(10-17(24)29-16)12(2)19(27-6)18(25)20(22)23/h8,11,13-14,16,20-21H,9-10H2,1-7H3
0 references
InChIKey
YHEQIRIWAKHQFI-UHFFFAOYSA-N
0 references
PubChem CID
85102744
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YHEQIRIWAKHQFI-UHFFFAOYSA-N
ChEBI ID
175241
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H32O6/c1-11-8-15(26-5)21(28-7)23(4)13(11)9-16-22(3)14(10-17(24)29-16)12(2)19(27-6)18(25)20(22)23/h8,11,13-14,16,20-21H,9-10H2,1-7H3
UniChem compound ID
32022331
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0039558
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YHEQIRIWAKHQFI-UHFFFAOYSA-N
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