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CHEBI:197664 - Sterenin M

ChEBI IDCHEBI:197664
ChEBI NameSterenin M
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31NO8
Net Charge0
Average Mass497.544
Monoisotopic Mass497.20497
SMILESCC(C)=CCc1c(OC(=O)c2c(C)cc(O)cc2O)cc2c(c1O)CN([C@@H](CC(C)C)C(=O)O)C2=O
InChIInChI=1S/C27H31NO8/c1-13(2)6-7-17-22(36-27(35)23-15(5)9-16(29)10-21(23)30)11-18-19(24(17)31)12-28(25(18)32)20(26(33)34)8-14(3)4/h6,9-11,14,20,29-31H,7-8,12H2,1-5H3,(H,33,34)/t20-/m0/s1
InChIKeyXZTGMLQCPNUZQT-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Stereum hirsutum (ncbitaxon:40492) - PubMed (25029175)
ChEBI Ontology
Outgoing Relation(s)
Sterenin M (CHEBI:197664) is a leucine derivative (CHEBI:47003)
IUPAC Name 
2-[5-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-hydroxy-6-(3-methylbut-2-enyl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanoic acid
Manual XrefsDatabases
78435324ChemSpider