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CHEBI:219635 - Bacillosporin E

ChEBI IDCHEBI:219635
ChEBI NameBacillosporin E
Stars
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)c4c3C1(COC4=O)C1=C2c2c(C)cc(O)c3c2C(O)(COC3=O)C1=O
InChIInChI=1S/C28H20O11/c1-8-4-12(31)16-20-13(8)17-18-22(32)14-9(2)5-11(30)15-19(14)27(6-37-25(15)34,24(18)39-10(3)29)21(17)23(33)28(20,36)7-38-26(16)35/h4-5,18,24,30-31,36H,6-7H2,1-3H3/t18-,24+,27?,28?/m0/s1
InChIKeyRNYVZQRDRWHPNZ-RSBXVABUSA-N
Species of MetaboliteComponentSourceComments
Talaromyces bacillisporus (ncbitaxon:36052) - PubMed (16902873)
ChEBI Ontology
Outgoing Relation(s)
Bacillosporin E (CHEBI:219635) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(14R,24R)-4,9,19-trihydroxy-11,17-dimethyl-3,7,15,21-tetraoxo-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-heptaen-24-yl] acetate