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CHEBI:207287 - Sterenin B

ChEBI IDCHEBI:207287
ChEBI NameSterenin B
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SubmitterMetaboLights
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FormulaC25H25NO10
Net Charge0
Average Mass499.472
Monoisotopic Mass499.14785
SMILESCC(C)=CCc1c(OC(=O)c2c(C)cc(O)cc2O)cc2c(c1O)CN([C@@H](CC(=O)O)C(=O)O)C2=O
InChIInChI=1S/C25H25NO10/c1-11(2)4-5-14-19(36-25(35)21-12(3)6-13(27)7-18(21)28)8-15-16(22(14)31)10-26(23(15)32)17(24(33)34)9-20(29)30/h4,6-8,17,27-28,31H,5,9-10H2,1-3H3,(H,29,30)(H,33,34)/t17-/m0/s1
InChIKeyNZNOTOIOKOCXIB-KRWDZBQOSA-N
Species of MetaboliteComponentSourceComments
Stereum (ncbitaxon:5644) - PubMed (18503190)
ChEBI Ontology
Outgoing Relation(s)
Sterenin B (CHEBI:207287) is a aspartic acid derivative (CHEBI:22661)
IUPAC Name 
2-[5-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-hydroxy-6-(3-methylbut-2-enyl)-3-oxo-1H-isoindol-2-yl]butanedioic acid
Manual XrefsDatabases
78434836ChemSpider