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CHEBI:214173 - Sporothrin A

ChEBI IDCHEBI:214173
ChEBI NameSporothrin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H18O6
Net Charge0
Average Mass462.457
Monoisotopic Mass462.11034
SMILESO=C1C[C@@H]2CC(=O)c3c(O)cccc3[C@]23C(=C2C=CC(=O)c4c(O)ccc3c42)c2cccc(O)c21
InChIInChI=1S/C29H18O6/c30-18-5-1-3-14-25(18)22(34)11-13-12-23(35)26-16(4-2-6-19(26)31)29(13)17-8-10-21(33)27-20(32)9-7-15(24(17)27)28(14)29/h1-10,13,30-31,33H,11-12H2/t13-,29-/m1/s1
InChIKeyJPASHCUBVCPLBJ-JYCIKRDWSA-N
Species of MetaboliteComponentSourceComments
Sporothrixspecies (ncbitaxon:1902615) - PubMed (19118474)
ChEBI Ontology
Outgoing Relation(s)
Sporothrin A (CHEBI:214173) is a tetralins (CHEBI:36786)
IUPAC Name 
(2S,11S)-7,15,26-trihydroxyheptacyclo[19.7.1.02,11.02,20.03,8.014,19.025,29]nonacosa-1(29),3(8),4,6,14(19),15,17,20,22,25,27-undecaene-9,13,24-trione
Manual XrefsDatabases
28285355ChemSpider