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CHEBI:210926 - Macrosporusone B

ChEBI IDCHEBI:210926
ChEBI NameMacrosporusone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H20O8
Net Charge0
Average Mass460.438
Monoisotopic Mass460.11582
SMILESCC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)c1c(O)cc3cc(O)cc(C)c3c12
InChIInChI=1S/C26H20O8/c1-9-4-13(28)6-12-7-15(30)21-19(16(9)12)20-23(31)17-10(2)5-14(29)18-22(17)26(21,8-33-25(18)32)24(20)34-11(3)27/h4-7,20,24,28-30H,8H2,1-3H3/t20-,24-,26+/m0/s1
InChIKeyMRESOSHWSCSTLC-OCDQVXHZSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (30898727)
ChEBI Ontology
Outgoing Relation(s)
Macrosporusone B (CHEBI:210926) is a organic tricyclic compound (CHEBI:51959)
IUPAC Name 
[(1S,12R,22S)-3,7,17-trihydroxy-9,15-dimethyl-13,19-dioxo-20-oxahexacyclo[10.9.1.11,14.02,11.05,10.018,23]tricosa-2,4,6,8,10,14(23),15,17-octaen-22-yl] acetate