EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222911 - Terpendole D

ChEBI IDCHEBI:222911
ChEBI NameTerpendole D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H43NO4
Net Charge0
Average Mass505.699
Monoisotopic Mass505.31921
SMILESCC(C)=CCOC(C)(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c(nc6ccccc56)[C@@]43C)[C@]23O[C@@H]3[C@@H]1O
InChIInChI=1S/C32H43NO4/c1-18(2)14-16-35-29(3,4)27-25(34)28-32(37-28)23-12-11-19-17-21-20-9-7-8-10-22(20)33-26(21)31(19,6)30(23,5)15-13-24(32)36-27/h7-10,14,19,23-25,27-28,33-34H,11-13,15-17H2,1-6H3/t19-,23+,24-,25+,27-,28+,30-,31+,32-/m0/s1
InChIKeyFDTNBKQWBBOKDI-XRZLRGBHSA-N
Species of MetaboliteComponentSourceComments
Albophoma yamanashiensis (ncbitaxon:1635095) - PubMed (7868384)
ChEBI Ontology
Outgoing Relation(s)
Terpendole D (CHEBI:222911) is a organic heterotricyclic compound (CHEBI:26979)
Terpendole D (CHEBI:222911) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2S,5S,7S,8R,9R,11S,12R,15S)-1,2-dimethyl-7-[2-(3-methylbut-2-enoxy)propan-2-yl]-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18,20,22-tetraen-8-ol
Manual XrefsDatabases
8499363ChemSpider