EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202907 - Ymf 1029A

ChEBI IDCHEBI:202907
ChEBI NameYmf 1029A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O8
Net Charge0
Average Mass384.340
Monoisotopic Mass384.08452
SMILESOc1ccc2c3c1[C@@H](O)[C@H]1O[C@H]1[C@]31Oc3cccc4c3[C@](O2)(O1)[C@H](O)C[C@@H]4O
InChIInChI=1S/C20H16O8/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/h1-5,9,12,16-18,21-24H,6H2/t9-,12+,16+,17+,18+,19+,20-/m0/s1
InChIKeyOTPVNHGOMNEPSU-KZYZBILJSA-N
ChEBI Ontology
Outgoing Relation(s)
Ymf 1029A (CHEBI:202907) is a tetralins (CHEBI:36786)
IUPAC Name 
(1S,2R,4R,5R,12S,13R,15S)-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-hexaene-5,7,13,15-tetrol
Manual XrefsDatabases
24686582ChemSpider