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CHEBI:199384 - 14-hydroxypaspalinine

ChEBI IDCHEBI:199384
ChEBI Name14-hydroxypaspalinine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31NO5
Net Charge0
Average Mass449.547
Monoisotopic Mass449.22022
SMILESCC1(C)O[C@@]23CC[C@]4(C)[C@@]5(C)c6nc7ccccc7c6C[C@@H]5C[C@H](O)[C@@]4(O)C2=CC(=O)[C@@H]1O3
InChIInChI=1S/C27H31NO5/c1-23(2)22-18(29)13-19-26(32-22,33-23)10-9-24(3)25(4)14(12-20(30)27(19,24)31)11-16-15-7-5-6-8-17(15)28-21(16)25/h5-8,13-14,20,22,28,30-31H,9-12H2,1-4H3/t14-,20+,22+,24-,25-,26+,27+/m1/s1
InChIKeyJNHPMJVSUJKCKH-KCCNSQSLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nomiae (ncbitaxon:41061) - DOI (10.1016/s0040-4039(00)77627-1)
ChEBI Ontology
Outgoing Relation(s)
14-hydroxypaspalinine (CHEBI:199384) is a organic heterotricyclic compound (CHEBI:26979)
14-hydroxypaspalinine (CHEBI:199384) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,4R,5S,16R,18S,19S,23R)-18,19-dihydroxy-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),8,10,12,20-pentaen-22-one
Manual XrefsDatabases
8247949ChemSpider