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CHEBI:144412 - Terpendole I

Default Structure
ChEBI IDCHEBI:144412
ChEBI NameTerpendole I
Stars
Submittermwilliams
DownloadsMolfile
FormulaC27H35NO5
Net Charge0
Average Mass453.579
Monoisotopic Mass453.25152
SMILESCC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c(nc6ccccc56)[C@@]43C)[C@]23O[C@@H]3[C@@H]1O
InChIInChI=1S/C27H35NO5/c1-23(2,30)21-19(29)22-27(33-22)18(32-21)10-11-24(3)25(4)14(9-12-26(24,27)31)13-16-15-7-5-6-8-17(15)28-20(16)25/h5-8,14,18-19,21-22,28-31H,9-13H2,1-4H3/t14-,18-,19+,21-,22+,24+,25+,26-,27-/m0/s1
InChIKeyAKOANWZRKXOJTC-ZWNZASDISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) MetaboLights (MTBLS586) Strain: BALB/c [EFO:0000602]
ChEBI Ontology
Outgoing Relation(s)
Terpendole I (CHEBI:144412) is a organic heterotricyclic compound (CHEBI:26979)
Terpendole I (CHEBI:144412) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,5S,7S,8R,9R,11S,12S,15S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18,20,22-tetraene-8,12-diol
Manual XrefsDatabases
C20543KEGG COMPOUND