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CHEBI:213729 - Dihydrotubingensin B

ChEBI IDCHEBI:213729
ChEBI NameDihydrotubingensin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO
Net Charge0
Average Mass403.610
Monoisotopic Mass403.28751
SMILESCC(C)[C@@]12CC[C@@]3(C)[C@H](C)CC[C@H](O)[C@]3(CC1)C1=C2Cc2nc3ccccc3c2C1
InChIInChI=1S/C28H37NO/c1-17(2)27-12-11-26(4)18(3)9-10-25(30)28(26,14-13-27)22-15-20-19-7-5-6-8-23(19)29-24(20)16-21(22)27/h5-8,17-18,25,29-30H,9-16H2,1-4H3/t18-,25+,26+,27-,28+/m1/s1
InChIKeyARUCPINIFJXYOH-ZARMMOAGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus tubingensis (ncbitaxon:5068) - PubMed (11421760)
ChEBI Ontology
Outgoing Relation(s)
Dihydrotubingensin B (CHEBI:213729) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,15R,18S,19R,22S)-18,19-dimethyl-15-propan-2-yl-11-azahexacyclo[13.7.2.01,18.02,14.04,12.05,10]tetracosa-2(14),4(12),5,7,9-pentaen-22-ol
Manual XrefsDatabases
9124692ChemSpider