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CHEBI:216820 - Bacillisporin J

ChEBI IDCHEBI:216820
ChEBI NameBacillisporin J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H20O11
Net Charge0
Average Mass532.457
Monoisotopic Mass532.10056
SMILESCC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)c1c(O)c3c4c(c(O)cc(C)c4c12)C(=O)OC3O
InChIInChI=1S/C28H20O11/c1-7-4-10(30)14-16-12(7)17-18-22(32)13-8(2)5-11(31)15-20(13)28(6-37-25(15)34,24(18)38-9(3)29)21(17)23(33)19(16)27(36)39-26(14)35/h4-5,18,24,27,30-31,33,36H,6H2,1-3H3/t18-,24-,27?,28-/m0/s1
InChIKeyVJPNMIPSVMHFRS-ULSQXBTNSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - DOI (10.1016/j.tet.2020.130980)
ChEBI Ontology
Outgoing Relation(s)
Bacillisporin J (CHEBI:216820) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(1S,14R,24S)-3,5,9,19-tetrahydroxy-11,17-dimethyl-7,15,21-trioxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),3,8,10,12(26),16(25),17,19-octaen-24-yl] acetate