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CHEBI:205445 - Penijanthine A

ChEBI IDCHEBI:205445
ChEBI NamePenijanthine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO3
Net Charge0
Average Mass419.565
Monoisotopic Mass419.24604
SMILESC=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4c5c(nc6ccccc56)C[C@@]43C)C2=C[C@H]1O
InChIInChI=1S/C27H33NO3/c1-15(2)24-21(29)13-18-22(31-24)10-11-26(4)25(3)14-20-23(17(25)9-12-27(18,26)30)16-7-5-6-8-19(16)28-20/h5-8,13,17,21-22,24,28-30H,1,9-12,14H2,2-4H3/t17-,21+,22-,24+,25-,26+,27+/m0/s1
InChIKeyWHBHNFDFPCYJCA-PKKYMZQFSA-N
Species of MetaboliteComponentSourceComments
Penicillium janthinellum (ncbitaxon:5079) - PubMed (18850072)
ChEBI Ontology
Outgoing Relation(s)
Penijanthine A (CHEBI:205445) is a organic heterotricyclic compound (CHEBI:26979)
Penijanthine A (CHEBI:205445) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,5S,7R,8R,11S,14R)-1,2-dimethyl-7-prop-1-en-2-yl-6-oxa-22-azahexacyclo[12.10.0.02,11.05,10.015,23.016,21]tetracosa-9,15(23),16,18,20-pentaene-8,11-diol
Manual XrefsDatabases
78442608ChemSpider