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CHEBI:210930 - Macrosporusone C

ChEBI IDCHEBI:210930
ChEBI NameMacrosporusone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H19ClO8
Net Charge0
Average Mass494.883
Monoisotopic Mass494.07685
SMILESCC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)c1c(O)c(Cl)c3cc(O)cc(C)c3c12
InChIInChI=1S/C26H19ClO8/c1-8-4-11(29)6-12-14(8)17-18-22(31)15-9(2)5-13(30)16-19(15)26(7-34-25(16)33,24(18)35-10(3)28)20(17)23(32)21(12)27/h4-6,18,24,29-30,32H,7H2,1-3H3/t18-,24-,26-/m0/s1
InChIKeyUXXZSFFKIYEEMU-SQOVJYTMSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (30898727)
ChEBI Ontology
Outgoing Relation(s)
Macrosporusone C (CHEBI:210930) is a organic tricyclic compound (CHEBI:51959)
IUPAC Name 
[(1S,12R,22S)-4-chloro-3,7,17-trihydroxy-9,15-dimethyl-13,19-dioxo-20-oxahexacyclo[10.9.1.11,14.02,11.05,10.018,23]tricosa-2(11),3,5(10),6,8,14(23),15,17-octaen-22-yl] acetate