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CHEBI:226197 - Penicixanthone F

ChEBI IDCHEBI:226197
ChEBI NamePenicixanthone F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H34O18
Net Charge0
Average Mass778.672
Monoisotopic Mass778.17451
SMILESC[C@@]12O[C@@H]1C(=O)C1=C(O)c3c(ccc(-c4ccc5c(c4O)C(O)=C4C(=O)[C@H]6O[C@@]6(C)[C@H](OC(=O)CCC(=O)O)[C@]4(C)O5)c3O)O[C@@]1(C)[C@H]2OC(=O)CCC(=O)O
InChIInChI=1S/C38H34O18/c1-35-23(29(49)31-37(3,55-31)33(35)51-19(43)11-9-17(39)40)27(47)21-15(53-35)7-5-13(25(21)45)14-6-8-16-22(26(14)46)28(48)24-30(50)32-38(4,56-32)34(36(24,2)54-16)52-20(44)12-10-18(41)42/h5-8,31-34,45-48H,9-12H2,1-4H3,(H,39,40)(H,41,42)/t31-,32-,33-,34-,35-,36-,37-,38-/m1/s1
InChIKeyIXZSKIHQFYACIT-NCUMTQOVSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (32293887)
ChEBI Ontology
Outgoing Relation(s)
Penicixanthone F (CHEBI:226197) is a xanthenes (CHEBI:38835)
IUPAC Name 
4-[[(1R,12S,14S,15R)-6-[(1R,12S,14S,15R)-15-(3-carboxypropanoyloxy)-7,9-dihydroxy-1,14-dimethyl-11-oxo-2,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-3(8),4,6,9-tetraen-6-yl]-7,9-dihydroxy-1,14-dimethyl-11-oxo-2,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-3(8),4,6,9-tetraen-15-yl]oxy]-4-oxobutanoic acid