EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200463 - (16S*,18S*,19R*)-12,18-dihydroxy-19-methoxy-16,18-dimethyl-10-phenyl-[11]-cytochalasa-6(7),13(E)-diene-1,21-dione

ChEBI IDCHEBI:200463
ChEBI Name(16S*,18S*,19R*)-12,18-dihydroxy-19-methoxy-16,18-dimethyl-10-phenyl-[11]-cytochalasa-6(7),13(E)-diene-1,21-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H39NO5
Net Charge0
Average Mass481.633
Monoisotopic Mass481.28282
SMILESCO[C@H]1CC(=O)[C@]23C(=O)N[C@H](Cc4ccccc4)[C@H]2[C@@H](C)C(CO)=C[C@H]3/C=C/C[C@@H](C)C[C@@]1(C)O
InChIInChI=1S/C29H39NO5/c1-18-9-8-12-22-14-21(17-31)19(2)26-23(13-20-10-6-5-7-11-20)30-27(33)29(22,26)24(32)15-25(35-4)28(3,34)16-18/h5-8,10-12,14,18-19,22-23,25-26,31,34H,9,13,15-17H2,1-4H3,(H,30,33)/b12-8+/t18-,19+,22-,23-,25+,26-,28-,29+/m1/s1
InChIKeyDTQYSDBDFRRYKL-JMBPPLCFSA-N
Species of MetaboliteComponentSourceComments
Microporellus (ncbitaxon:196224) - PubMed (17188722)
ChEBI Ontology
Outgoing Relation(s)
(16S*,18S*,19R*)-12,18-dihydroxy-19-methoxy-16,18-dimethyl-10-phenyl-[11]-cytochalasa-6(7),13(E)-diene-1,21-dione (CHEBI:200463) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,4S,5R,7R,9E,11R,14R,15S,16R)-16-benzyl-5-hydroxy-13-(hydroxymethyl)-4-methoxy-5,7,14-trimethyl-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,18-dione
Manual XrefsDatabases
78436624ChemSpider