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CHEBI:198199 - (6R,16S,18R,21R)-18,21-Dihydroxy-16,18-D

ChEBI IDCHEBI:198199
ChEBI Name(6R,16S,18R,21R)-18,21-Dihydroxy-16,18-D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35NO5
Net Charge0
Average Mass465.590
Monoisotopic Mass465.25152
SMILESC[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](O)/C=C\[C@@](C)(O)C(=O)[C@@H](C)C/C=C\[C@H]3C(=O)[C@@H]1C
InChIInChI=1S/C28H35NO5/c1-16-9-8-12-20-24(31)18(3)17(2)23-21(15-19-10-6-5-7-11-19)29-26(33)28(20,23)22(30)13-14-27(4,34)25(16)32/h5-8,10-14,16-18,20-23,30,34H,9,15H2,1-4H3,(H,29,33)/b12-8-,14-13-/t16-,17+,18+,20-,21-,22+,23-,27+,28+/m0/s1
InChIKeyFAWYVFPVBYQAHD-NJEBVTKOSA-N
Species of MetaboliteComponentSourceComments
Metarhizium anisopliae (ncbitaxon:5530) - DOI (10.1021/np990331t)
ChEBI Ontology
Outgoing Relation(s)
(6R,16S,18R,21R)-18,21-Dihydroxy-16,18-D (CHEBI:198199) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,2R,3Z,5R,7S,9Z,11R,13R,14S,15R,16S)-16-benzyl-2,5-dihydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9-diene-6,12,18-trione
Manual XrefsDatabases
58134695ChemSpider