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CHEBI:203397 - Punctaporonin K

ChEBI IDCHEBI:203397
ChEBI NamePunctaporonin K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H33NO5
Net Charge0
Average Mass379.497
Monoisotopic Mass379.23587
SMILESC=C1CC[C@]2(O)[C@H](CC2(C)C)/C(CO)=C\[C@H](O)[C@@H]1NC(=O)/C=C(\C)CCO
InChIInChI=1S/C21H33NO5/c1-13(6-8-23)9-18(26)22-19-14(2)5-7-21(27)16(11-20(21,3)4)15(12-24)10-17(19)25/h9-10,16-17,19,23-25,27H,2,5-8,11-12H2,1,3-4H3,(H,22,26)/b13-9+,15-10-/t16-,17+,19-,21+/m1/s1
InChIKeyXWAIWHWMWSYZSP-MAVITBGLSA-N
Species of MetaboliteComponentSourceComments
Ascotricha sinuosa (ncbitaxon:1217297) - PubMed (24983636)
ChEBI Ontology
Outgoing Relation(s)
Punctaporonin K (CHEBI:203397) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(E)-N-[(1R,2E,4S,5R,9S)-4,9-dihydroxy-2-(hydroxymethyl)-10,10-dimethyl-6-methylidene-5-bicyclo[7.2.0]undec-2-enyl]-5-hydroxy-3-methylpent-2-enamide
Manual XrefsDatabases
34981189ChemSpider