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CHEBI:226210 - Penicixanthone I

ChEBI IDCHEBI:226210
ChEBI NamePenicixanthone I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H32O15
Net Charge0
Average Mass692.626
Monoisotopic Mass692.17412
SMILESCOC(=O)CCC(=O)O[C@H]1[C@]2(C)O[C@@H]2C(=O)C2=C(O)c3c(ccc(-c4ccc5c(c4O)C(O)=C4C(=O)[C@H]6O[C@@]6(C)[C@H](O)[C@]4(C)O5)c3O)O[C@]21C
InChIInChI=1S/C35H32O15/c1-32-20(26(42)28-34(3,49-28)30(32)44)24(40)18-14(47-32)8-6-12(22(18)38)13-7-9-15-19(23(13)39)25(41)21-27(43)29-35(4,50-29)31(33(21,2)48-15)46-17(37)11-10-16(36)45-5/h6-9,28-31,38-41,44H,10-11H2,1-5H3/t28-,29-,30-,31-,32-,33-,34-,35-/m1/s1
InChIKeyZLDUASOJFBSMIM-GHFKVGADSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (32293887)
ChEBI Ontology
Outgoing Relation(s)
Penicixanthone I (CHEBI:226210) is a diterpenoid (CHEBI:23849)
IUPAC Name 
4-O-[(1R,12S,14S,15R)-7,9-dihydroxy-1,14-dimethyl-11-oxo-6-[(1R,12S,14S,15R)-7,9,15-trihydroxy-1,14-dimethyl-11-oxo-2,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-3(8),4,6,9-tetraen-6-yl]-2,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-3(8),4,6,9-tetraen-15-yl] 1-O-methyl butanedioate