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CHEBI:215143 - 11-Deoxydiaporthein A

ChEBI IDCHEBI:215143
ChEBI Name11-Deoxydiaporthein A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESC=C[C@]1(C)C=C2[C@@H](O)[C@@]3(O)OC[C@@]4(CCCC(C)(C)[C@@]43O)[C@@]2(O)CC1
InChIInChI=1S/C20H30O5/c1-5-16(4)9-10-18(22)13(11-16)14(21)19(23)20(24)15(2,3)7-6-8-17(18,20)12-25-19/h5,11,14,21-24H,1,6-10,12H2,2-4H3/t14-,16+,17+,18-,19-,20-/m1/s1
InChIKeyBGGZYIXXXYYDAY-YJKDXWGCSA-N
Species of MetaboliteComponentSourceComments
Cryptosphaeria eunomia var. eunomia (ncbitaxon:140166) - DOI (10.1246/cl.2007.1386)
ChEBI Ontology
Outgoing Relation(s)
11-Deoxydiaporthein A (CHEBI:215143) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,2R,5R,8R,9R,10R)-5-ethenyl-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-6-ene-2,8,9,10-tetrol
Manual XrefsDatabases
23076659ChemSpider