EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218351 - Delitschiapyrone A

ChEBI IDCHEBI:218351
ChEBI NameDelitschiapyrone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O9
Net Charge0
Average Mass458.463
Monoisotopic Mass458.15768
SMILESCCc1c(OC)cc2c(c1O)C(=O)[C@H]1[C@H]3c4c(OC)cc(=O)oc4C[C@]2(O)[C@]1(O)O[C@H]3CC
InChIInChI=1S/C24H26O9/c1-5-10-13(30-3)7-11-17(21(10)26)22(27)20-19-12(6-2)33-24(20,29)23(11,28)9-15-18(19)14(31-4)8-16(25)32-15/h7-8,12,19-20,26,28-29H,5-6,9H2,1-4H3/t12-,19+,20+,23+,24+/m0/s1
InChIKeyHXGQHTQVJGFTIH-YMZGCQIRSA-N
Species of MetaboliteComponentSourceComments
Delitschiaspecies FL1581 (ncbitaxon:1570846) - PubMed (25365379)
ChEBI Ontology
Outgoing Relation(s)
Delitschiapyrone A (CHEBI:218351) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1R,9S,10S,12R,13R)-10,17-diethyl-1,12,16-trihydroxy-7,18-dimethoxy-4,11-dioxapentacyclo[10.8.0.03,8.09,13.015,20]icosa-3(8),6,15,17,19-pentaene-5,14-dione
Manual XrefsDatabases
34452012ChemSpider