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CHEBI:204718 - Bacillisporin D

ChEBI IDCHEBI:204718
ChEBI NameBacillisporin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H18O10
Net Charge0
Average Mass490.420
Monoisotopic Mass490.09000
SMILESCc1cc(O)c2c3c1C1=C(C(=O)C3(O)COC2=O)[C@]23COC(=O)c4c(O)cc(C)c(c42)C(=O)[C@H]1C3O
InChIInChI=1S/C26H18O10/c1-7-3-10(28)14-18-11(7)15-16-20(29)12-8(2)4-9(27)13-17(12)25(21(16)30,5-35-23(13)32)19(15)22(31)26(18,34)6-36-24(14)33/h3-4,16,21,27-28,30,34H,5-6H2,1-2H3/t16-,21?,25-,26?/m0/s1
InChIKeySCVGKUUIKGANLF-SIRBZUTESA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (16902873)
ChEBI Ontology
Outgoing Relation(s)
Bacillisporin D (CHEBI:204718) is a tetralins (CHEBI:36786)
IUPAC Name 
(1S,14R)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone
Manual XrefsDatabases
78437186ChemSpider