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CHEBI:222537 - Parnafungin B1

ChEBI IDCHEBI:222537
ChEBI NameParnafungin B1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H17NO9
Net Charge0
Average Mass451.387
Monoisotopic Mass451.09033
SMILESCOC(=O)[C@]12Oc3c(c(O)cc4c3-c3cccc5c(=O)on(c35)C4)C(O)=C1C(=O)CC[C@@H]2O
InChIInChI=1S/C23H17NO9/c1-31-22(30)23-14(27)6-5-12(25)17(23)19(28)16-13(26)7-9-8-24-18-10(15(9)20(16)32-23)3-2-4-11(18)21(29)33-24/h2-4,7,14,26-28H,5-6,8H2,1H3/t14-,23+/m0/s1
InChIKeyVKIBJBJCHRTKAT-LFVRLGFBSA-N
Species of MetaboliteComponentSourceComments
Microcera larvarum (ncbitaxon:1053158) - PubMed (18461935)
ChEBI Ontology
Outgoing Relation(s)
Parnafungin B1 (CHEBI:222537) is a pyridochromene (CHEBI:53792)
IUPAC Name 
methyl (5S,6S)-6,11,13-trihydroxy-9,19-dioxo-4,18-dioxa-17-azahexacyclo[15.6.1.02,15.03,12.05,10.020,24]tetracosa-1(23),2,10,12,14,20(24),21-heptaene-5-carboxylate
Manual XrefsDatabases
78438244ChemSpider