CHEBI:216814 - Bacillisporin I

ChEBI IDCHEBI:216814
ChEBI NameBacillisporin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H18O10
Net Charge0
Average Mass490.420
Monoisotopic Mass490.09000
SMILESCc1cc(O)c2c3c1C(=O)[C@@H]1c4c(c(O)c5c6c(c(O)cc(C)c46)C(=O)OC5O)[C@@]3(COC2=O)[C@H]1O
InChIInChI=1S/C26H18O10/c1-6-3-8(27)12-14-10(6)15-16-20(29)11-7(2)4-9(28)13-18(11)26(22(16)31,5-35-23(13)32)19(15)21(30)17(14)25(34)36-24(12)33/h3-4,16,22,25,27-28,30-31,34H,5H2,1-2H3/t16-,22-,25?,26-/m0/s1
InChIKeyKZQKDFIRYGFDRS-WSIOJEQCSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - DOI (10.1016/j.tet.2020.130980)
ChEBI Ontology
Outgoing Relation(s)
Bacillisporin I (CHEBI:216814) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(1S,14R,24S)-3,5,9,19,24-pentahydroxy-11,17-dimethyl-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-octaene-7,15,21-trione