EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:202819 - Terpendole H

ChEBI IDCHEBI:202819
ChEBI NameTerpendole H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO5
Net Charge0
Average Mass451.563
Monoisotopic Mass451.23587
SMILESCC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)C4(OC4C[C@H]4Cc5c(nc6ccccc56)[C@@]43C)[C@]23O[C@@H]3[C@@H]1O
InChIInChI=1S/C27H33NO5/c1-23(2,30)21-19(29)22-26(33-22)17(31-21)9-10-24(3)25(4)13(12-18-27(24,26)32-18)11-15-14-7-5-6-8-16(14)28-20(15)25/h5-8,13,17-19,21-22,28-30H,9-12H2,1-4H3/t13-,17+,18?,19-,21+,22-,24-,25-,26+,27?/m1/s1
InChIKeyOAZQOSOFFNLFEK-WHJHVYLNSA-N
Species of MetaboliteComponentSourceComments
Albophoma yamanashiensis (ncbitaxon:1635095) - PubMed (7592023)
ChEBI Ontology
Outgoing Relation(s)
Terpendole H (CHEBI:202819) is a organic heterotricyclic compound (CHEBI:26979)
Terpendole H (CHEBI:202819) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,5S,7S,8R,9R,11S,16R)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,10,13-trioxa-25-azaoctacyclo[14.10.0.02,12.05,11.09,11.012,14.018,26.019,24]hexacosa-18(26),19,21,23-tetraen-8-ol
Manual XrefsDatabases
8609395ChemSpider