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CHEBI:226201 - Penicixanthone G

ChEBI IDCHEBI:226201
ChEBI NamePenicixanthone G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H38O18
Net Charge0
Average Mass806.726
Monoisotopic Mass806.20581
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](OC(=O)CCC(=O)OC)[C@]4(C)O5)c3O)O[C@]21C
InChIInChI=1S/C40H38O18/c1-37-25(31(49)33-39(3,57-33)35(37)53-21(43)13-11-19(41)51-5)29(47)23-17(55-37)9-7-15(27(23)45)16-8-10-18-24(28(16)46)30(48)26-32(50)34-40(4,58-34)36(38(26,2)56-18)54-22(44)14-12-20(42)52-6/h7-10,33-36,45-48H,11-14H2,1-6H3/t33-,34-,35-,36-,37-,38-,39-,40-/m1/s1
InChIKeyUSKSNXMEAKKDJL-CVOAXWMXSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (32293887)
ChEBI Ontology
Outgoing Relation(s)
Penicixanthone G (CHEBI:226201) is a diterpenoid (CHEBI:23849)
IUPAC Name 
4-O-[(1R,12S,14S,15R)-6-[(1R,12S,14S,15R)-7,9-dihydroxy-15-(4-methoxy-4-oxobutanoyl)oxy-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] 1-O-methyl butanedioate