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CHEBI:217250 - 20,25-dihydroxyaflavinine

ChEBI IDCHEBI:217250
ChEBI Name20,25-dihydroxyaflavinine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO3
Net Charge0
Average Mass437.624
Monoisotopic Mass437.29299
SMILESC[C@H](CO)C1=C(c2cnc3ccccc23)[C@@H]2[C@H](C)C[C@@H](O)[C@@]3(C)[C@H](C)CC[C@H](O)[C@@]23CC1
InChIInChI=1S/C28H39NO3/c1-16-13-24(32)27(4)18(3)9-10-23(31)28(27)12-11-19(17(2)15-30)25(26(16)28)21-14-29-22-8-6-5-7-20(21)22/h5-8,14,16-18,23-24,26,29-32H,9-13,15H2,1-4H3/t16-,17-,18-,23+,24-,26+,27-,28+/m1/s1
InChIKeyZMEZVDUXYBOYTB-MPNNTWSSSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavus (ncbitaxon:5059) - DOI (10.1021/jf00104a019)
ChEBI Ontology
Outgoing Relation(s)
20,25-dihydroxyaflavinine (CHEBI:217250) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,4R,4aS,5R,7R,7aS,11aS)-9-[(2S)-1-hydroxypropan-2-yl]-8-(1H-indol-3-yl)-4,4a,7-trimethyl-1,2,3,4,5,6,7,7a,10,11-decahydrobenzo[d]naphthalene-1,5-diol
Manual XrefsDatabases
52084766ChemSpider