EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:208522 - Aspergixanthone H

ChEBI IDCHEBI:208522
ChEBI NameAspergixanthone H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O7
Net Charge0
Average Mass438.476
Monoisotopic Mass438.16785
SMILESC=C(C)[C@H]1COc2c(C)cc3oc4c([C@@H](O)[C@@H](O)C(=C)C)ccc(O)c4c(=O)c3c2[C@@H]1O
InChIInChI=1S/C25H26O7/c1-10(2)14-9-31-24-12(5)8-16-18(19(24)21(14)28)23(30)17-15(26)7-6-13(25(17)32-16)22(29)20(27)11(3)4/h6-8,14,20-22,26-29H,1,3,9H2,2,4-5H3/t14-,20+,21-,22-/m1/s1
InChIKeyAZEPSRJBBLDGNA-MVMQPQNDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30006520)
ChEBI Ontology
Outgoing Relation(s)
Aspergixanthone H (CHEBI:208522) is a xanthones (CHEBI:51149)
IUPAC Name 
(1R,2S)-8-[(1R,2S)-1,2-dihydroxy-3-methylbut-3-enyl]-1,11-dihydroxy-5-methyl-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one
Manual XrefsDatabases
68003743ChemSpider