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CHEBI:227913 - Penijanthine B

ChEBI IDCHEBI:227913
ChEBI NamePenijanthine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H41NO3
Net Charge0
Average Mass487.684
Monoisotopic Mass487.30864
SMILESC=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c(nc6cccc(CC=C(C)C)c56)[C@@]43C)C2=C[C@H]1O
InChIInChI=1S/C32H41NO3/c1-18(2)10-11-20-8-7-9-24-27(20)22-16-21-12-15-32(35)23-17-25(34)28(19(3)4)36-26(23)13-14-30(32,5)31(21,6)29(22)33-24/h7-10,17,21,25-26,28,33-35H,3,11-16H2,1-2,4-6H3/t21-,25+,26-,28+,30+,31+,32+/m0/s1
InChIKeyFSJPEPBDGRAKLZ-XMOUJPDASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24456250)
ChEBI Ontology
Outgoing Relation(s)
Penijanthine B (CHEBI:227913) is a organic heterotricyclic compound (CHEBI:26979)
Penijanthine B (CHEBI:227913) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,5S,7R,8R,11S,14S)-1,2-dimethyl-18-(3-methylbut-2-enyl)-7-prop-1-en-2-yl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaene-8,11-diol
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78441451ChemSpider