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(Q104253442)
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English
(R)-Methysticin
group of stereoisomers with the chemical formula C₁₅H₁₄O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
274.08412354800004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₄O₅
0 references
canonical SMILES
O=C1OC(C=CC2=CC=C3OCOC3=C2)CC(OC)=C1
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isomeric SMILES
COC1=CC(=O)OC(/C=C\c2ccc3c(c2)OCO3)C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H14O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h2-6,8,11H,7,9H2,1H3/b4-2-
0 references
InChIKey
GTEXBOVBADJOQH-RQOWECAXSA-N
0 references
PubChem CID
90125683
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
GTEXBOVBADJOQH-RQOWECAXSA-N
ChEBI ID
174607
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H14O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h2-6,8,11H,7,9H2,1H3/b4-2-
UniChem compound ID
31996438
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0033590
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GTEXBOVBADJOQH-RQOWECAXSA-N
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