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CHEBI:209871 - Diaporthein B

ChEBI IDCHEBI:209871
ChEBI NameDiaporthein B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O6
Net Charge0
Average Mass364.438
Monoisotopic Mass364.18859
SMILESC=C[C@]1(C)C=C2C(=O)[C@]3(O)OC[C@@]4(CCCC(C)(C)[C@@]43O)C2(O)[C@H](O)C1
InChIInChI=1S/C20H28O6/c1-5-16(4)9-12-14(22)19(24)20(25)15(2,3)7-6-8-17(20,11-26-19)18(12,23)13(21)10-16/h5,9,13,21,23-25H,1,6-8,10-11H2,2-4H3/t13-,16-,17+,18?,19+,20-/m1/s1
InChIKeyFVYIOIBMUVNZMQ-RUPLKUBASA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (12657257)
ChEBI Ontology
Outgoing Relation(s)
Diaporthein B (CHEBI:209871) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,3R,5R,9R,10R)-5-ethenyl-2,3,9,10-tetrahydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-6-en-8-one
Manual XrefsDatabases
78437947ChemSpider