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CHEBI:203955 - Preubetaomerin EG3

ChEBI IDCHEBI:203955
ChEBI NamePreubetaomerin EG3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H16O7
Net Charge0
Average Mass380.352
Monoisotopic Mass380.08960
SMILESCO[C@@H]1CC(=O)c2cccc3c2[C@@]12Oc1ccc(O)c4c1[C@](CCC4=O)(O3)O2
InChIInChI=1S/C21H16O7/c1-25-16-9-13(24)10-3-2-4-14-18(10)21(16)27-15-6-5-11(22)17-12(23)7-8-20(26-14,28-21)19(15)17/h2-6,16,22H,7-9H2,1H3/t16-,20-,21-/m1/s1
InChIKeyTVCMYNVBJFGZDU-MAODMQOUSA-N
Species of MetaboliteComponentSourceComments
Edenia gomezpompae (ncbitaxon:461172) - PubMed (18234248)
ChEBI Ontology
Outgoing Relation(s)
Preubetaomerin EG3 (CHEBI:203955) is a tetralins (CHEBI:36786)
IUPAC Name 
(1S,11R,20R)-6-hydroxy-20-methoxy-2,12,21-trioxahexacyclo[9.9.1.11,13.13,7.011,23.017,22]tricosa-3(23),4,6,13,15,17(22)-hexaene-8,18-dione
Manual XrefsDatabases
78439670ChemSpider