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CHEBI:207337 - Botryosphaeriodiplodin

ChEBI IDCHEBI:207337
ChEBI NameBotryosphaeriodiplodin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O5
Net Charge0
Average Mass308.374
Monoisotopic Mass308.16237
SMILESCOc1cc(O)cc2c1C(=O)O[C@@H](C)CCCC(O)CCC2
InChIInChI=1S/C17H24O5/c1-11-5-3-7-13(18)8-4-6-12-9-14(19)10-15(21-2)16(12)17(20)22-11/h9-11,13,18-19H,3-8H2,1-2H3/t11-,13?/m0/s1
InChIKeyBMTHJJMWAGGHQC-AMGKYWFPSA-N
Species of MetaboliteComponentSourceComments
Botryosphaeria (ncbitaxon:45132) - DOI (10.1016/j.tet.2009.10.084)
ChEBI Ontology
Outgoing Relation(s)
Botryosphaeriodiplodin (CHEBI:207337) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S)-8,14-dihydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one
Manual XrefsDatabases
78437333ChemSpider