Showing metabocard for Yaminterritrem A (MMDBc0009077)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 01:43:02 UTC
Update Date2022-08-31 06:29:32 UTC
MiMeDB IDMMDBc0009077
Metabolite Identification
Common NameYaminterritrem A
Description9-[4-hydroxy-6-(4-methoxyphenyl)-2-oxo-2H-pyran-3-yl]-5-methyl-1-(4-methyl-3-oxopentyl)-6-oxabicyclo[3.2.2]nonan-2-one belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. Based on a literature review very few articles have been published on 9-[4-hydroxy-6-(4-methoxyphenyl)-2-oxo-2H-pyran-3-yl]-5-methyl-1-(4-methyl-3-oxopentyl)-6-oxabicyclo[3.2.2]nonan-2-one.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x000055b76e04c588>

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3D MOL for #<Metabolite:0x000055b76e04c588>

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3D SDF for #<Metabolite:0x000055b76e04c588>

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3D-SDF for #<Metabolite:0x000055b76e04c588>

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PDB for #<Metabolite:0x000055b76e04c588>

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3D PDB for #<Metabolite:0x000055b76e04c588>

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SMILES for #<Metabolite:0x000055b76e04c588>

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INCHI for #<Metabolite:0x000055b76e04c588>

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SynonymsNot Available
Chemical FormulaC27H32O7
Average Molecular Weight468.546
Monoisotopic Molecular Weight468.21480337
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C27H32O7/c1-16(2)20(28)9-12-27-14-19(26(3,33-15-27)11-10-23(27)30)24-21(29)13-22(34-25(24)31)17-5-7-18(32-4)8-6-17/h5-8,13,16,19,29H,9-12,14-15H2,1-4H3
InChI KeyKOBHRKRRZILYFW-UHFFFAOYSA-N