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CHEBI:209445 - Sporothrin B

ChEBI IDCHEBI:209445
ChEBI NameSporothrin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H18O7
Net Charge0
Average Mass478.456
Monoisotopic Mass478.10525
SMILESO=C1C[C@@H]2CC(=O)c3c(O)cccc3[C@]23C(=C2C=CC(=O)c4c(O)ccc3c42)c2cc(O)cc(O)c21
InChIInChI=1S/C29H18O7/c30-13-10-15-25(23(36)11-13)21(34)8-12-9-22(35)26-16(2-1-3-18(26)31)29(12)17-5-7-20(33)27-19(32)6-4-14(24(17)27)28(15)29/h1-7,10-12,30-31,33,36H,8-9H2/t12-,29-/m1/s1
InChIKeyLTJCWOKEBIDYKL-XETJZTBLSA-N
Species of MetaboliteComponentSourceComments
Sporothrixspecies (ncbitaxon:1902615) - PubMed (19118474)
ChEBI Ontology
Outgoing Relation(s)
Sporothrin B (CHEBI:209445) is a tetralins (CHEBI:36786)
IUPAC Name 
(2S,11S)-7,15,17,26-tetrahydroxyheptacyclo[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
78438474ChemSpider