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CHEBI:200028 - Neocosmosin B

ChEBI IDCHEBI:200028
ChEBI NameNeocosmosin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O6
Net Charge0
Average Mass334.368
Monoisotopic Mass334.14164
SMILESC[C@@H]1CCCC(=O)CCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C18H22O6/c1-11-4-2-5-13(19)6-3-7-14(20)8-12-9-15(21)10-16(22)17(12)18(23)24-11/h9-11,21-22H,2-8H2,1H3/t11-/m1/s1
InChIKeyNLMDGBXIGCVRCU-LLVKDONJSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (23659286)
ChEBI Ontology
Outgoing Relation(s)
Neocosmosin B (CHEBI:200028) is a macrolide (CHEBI:25106)
Neocosmosin B (CHEBI:200028) is a resorcinols (CHEBI:33572)
IUPAC Name 
(4R)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8,12-trione
Manual XrefsDatabases
30811308ChemSpider