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CHEBI:204791 - Bicycloalternarene B

ChEBI IDCHEBI:204791
ChEBI NameBicycloalternarene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O6
Net Charge0
Average Mass382.497
Monoisotopic Mass382.23554
SMILESC/C(=C\CCC(C)(O)[C@@H]1CC2=C(CC[C@@H](O)C2=O)O1)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C21H34O6/c1-13(7-10-17(23)20(2,3)25)6-5-11-21(4,26)18-12-14-16(27-18)9-8-15(22)19(14)24/h6,15,17-18,22-23,25-26H,5,7-12H2,1-4H3/b13-6+/t15-,17-,18+,21?/m1/s1
InChIKeyGNNBTXNIZDKENT-WBSCRLJISA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies JJY-32 (ncbitaxon:911659) - PubMed (24128115)
ChEBI Ontology
Outgoing Relation(s)
Bicycloalternarene B (CHEBI:204791) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2S,5R)-5-hydroxy-2-[(E,9R)-2,9,10-trihydroxy-6,10-dimethylundec-5-en-2-yl]-3,5,6,7-tetrahydro-2H-1-benzouran-4-one
Manual XrefsDatabases
78437194ChemSpider