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CHEBI:208239 - Punctaporonin J

ChEBI IDCHEBI:208239
ChEBI NamePunctaporonin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H35NO7
Net Charge0
Average Mass437.533
Monoisotopic Mass437.24135
SMILESC=C1C[C@H](OC(C)=O)[C@]2(O)[C@H](CC2(C)C)/C(CO)=C\[C@H](O)[C@@H]1NC(=O)/C=C(\C)CCO
InChIInChI=1S/C23H35NO7/c1-13(6-7-25)8-20(29)24-21-14(2)9-19(31-15(3)27)23(30)17(11-22(23,4)5)16(12-26)10-18(21)28/h8,10,17-19,21,25-26,28,30H,2,6-7,9,11-12H2,1,3-5H3,(H,24,29)/b13-8+,16-10-/t17-,18+,19+,21-,23-/m1/s1
InChIKeyYJZWSFHTFFGEOK-GFYPOJIRSA-N
Species of MetaboliteComponentSourceComments
Ascotricha sinuosa (ncbitaxon:1217297) - PubMed (24983636)
ChEBI Ontology
Outgoing Relation(s)
Punctaporonin J (CHEBI:208239) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
[(1S,2S,5R,6S,7E,9R)-1,6-dihydroxy-8-(hydroxymethyl)-5-[[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]-11,11-dimethyl-4-methylidene-2-bicyclo[7.2.0]undec-7-enyl] acetate
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34981269ChemSpider