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CHEBI:208089 - Dihydrotubingensin A

ChEBI IDCHEBI:208089
ChEBI NameDihydrotubingensin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO
Net Charge0
Average Mass403.610
Monoisotopic Mass403.28751
SMILESCC(C)=CCC[C@]12C3=C(CC[C@@]1(C)[C@H](C)CC[C@@H]2O)Cc1nc2ccccc2c1C3
InChIInChI=1S/C28H37NO/c1-18(2)8-7-14-28-23-17-22-21-9-5-6-10-24(21)29-25(22)16-20(23)13-15-27(28,4)19(3)11-12-26(28)30/h5-6,8-10,19,26,29-30H,7,11-17H2,1-4H3/t19-,26+,27+,28-/m1/s1
InChIKeyVNRBHDIODBBYFF-AIERRPMVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus tubingensis (ncbitaxon:5068) - PubMed (11421760)
ChEBI Ontology
Outgoing Relation(s)
Dihydrotubingensin A (CHEBI:208089) is a carbazoles (CHEBI:48513)
IUPAC Name 
(16S,17R,20S,21R)-16,17-dimethyl-21-(4-methylpent-3-enyl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),3(11),4,6,8-pentaen-20-ol
Manual XrefsDatabases
9212047ChemSpider