EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225524 - Ymf 1029B

ChEBI IDCHEBI:225524
ChEBI NameYmf 1029B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H14O8
Net Charge0
Average Mass382.324
Monoisotopic Mass382.06887
SMILESO=C1c2c(O)ccc3c2[C@@]2(Oc4cccc5c4[C@](O3)(O2)[C@H](O)C[C@@H]5O)[C@@H]2O[C@H]12
InChIInChI=1S/C20H14O8/c21-8-4-5-11-15-13(8)16(24)17-18(25-17)20(15)27-10-3-1-2-7-9(22)6-12(23)19(26-11,28-20)14(7)10/h1-5,9,12,17-18,21-23H,6H2/t9-,12+,17+,18+,19+,20-/m0/s1
InChIKeyQKLVXISZLKJRFY-AJSIDQCHSA-N
ChEBI Ontology
Outgoing Relation(s)
Ymf 1029B (CHEBI:225524) is a tetralins (CHEBI:36786)
IUPAC Name 
(1S,2R,4S,12S,13R,15S)-7,13,15-trihydroxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.11,6.112,16.02,4.010,24.020,23]tetracosa-6,8,10(24),16(23),17,19-hexaen-5-one
Manual XrefsDatabases
24704495ChemSpider