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CHEBI:226957 - Paeciloquinone E

ChEBI IDCHEBI:226957
ChEBI NamePaeciloquinone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O7
Net Charge0
Average Mass368.341
Monoisotopic Mass368.08960
SMILESC[C@]12CC[C@H](CO1)c1c(cc3c(c1O)C(=O)c1c(O)cc(O)cc1C3=O)O2
InChIInChI=1S/C20H16O7/c1-20-3-2-8(7-26-20)14-13(27-20)6-11-16(18(14)24)19(25)15-10(17(11)23)4-9(21)5-12(15)22/h4-6,8,21-22,24H,2-3,7H2,1H3/t8-,20+/m1/s1
InChIKeyVDUWMFOCSYSODX-SQFXPLBJSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces (ncbitaxon:33202) - PubMed (7730151)
ChEBI Ontology
Outgoing Relation(s)
Paeciloquinone E (CHEBI:226957) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(1S,17S)-3,7,9-trihydroxy-17-methyl-16,18-dioxapentacyclo[15.2.2.02,15.04,13.06,11]henicosa-2(15),3,6(11),7,9,13-hexaene-5,12-dione
Manual XrefsDatabases
8604519ChemSpider