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CHEBI:224296 - Paspalinine-13-ene

ChEBI IDCHEBI:224296
ChEBI NamePaspalinine-13-ene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H29NO3
Net Charge0
Average Mass415.533
Monoisotopic Mass415.21474
SMILESCC1(C)O[C@@]23CC[C@@]4(C)C(=CC[C@H]5Cc6c(nc7ccccc67)[C@@]54C)C2=CC(=O)[C@@H]1O3
InChIInChI=1S/C27H29NO3/c1-24(2)23-21(29)14-19-18-10-9-15-13-17-16-7-5-6-8-20(16)28-22(17)26(15,4)25(18,3)11-12-27(19,30-23)31-24/h5-8,10,14-15,23,28H,9,11-13H2,1-4H3/t15-,23-,25-,26+,27-/m0/s1
InChIKeyJLENOOOPKJFMMJ-MQEXBILOSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31117519)
ChEBI Ontology
Outgoing Relation(s)
Paspalinine-13-ene (CHEBI:224296) is a organic heterotricyclic compound (CHEBI:26979)
Paspalinine-13-ene (CHEBI:224296) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,4S,5S,16S,23R)-4,5,24,24-tetramethyl-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8,10,12,18,20-hexaen-22-one
Manual XrefsDatabases
128441941ChemSpider