EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214353 - Chartarlactam R

ChEBI IDCHEBI:214353
ChEBI NameChartarlactam R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H63NO9
Net Charge0
Average Mass798.030
Monoisotopic Mass797.45028
SMILESCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H](C)[C@]23Cc2c(O)cc4c(c2O3)CN([C@H]2OCc3cc(O)c5c(c32)O[C@]2(C5)[C@H](C)CC[C@H]3C(C)(C)[C@H](O)CC[C@@]32C)C4=O)C1(C)C
InChIInChI=1S/C48H63NO9/c1-24-11-13-35-44(6,7)37(56-26(3)50)15-17-46(35,9)47(24)20-29-33(52)19-28-31(39(29)57-47)22-49(41(28)54)42-38-27(23-55-42)18-32(51)30-21-48(58-40(30)38)25(2)10-12-34-43(4,5)36(53)14-16-45(34,48)8/h18-19,24-25,34-37,42,51-53H,10-17,20-23H2,1-9H3/t24-,25-,34+,35+,36-,37-,42+,45+,46+,47-,48-/m1/s1
InChIKeyDERJWAICIMCFGX-WIHGWENBSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - PubMed (32289204)
ChEBI Ontology
Outgoing Relation(s)
Chartarlactam R (CHEBI:214353) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(2R,4aS,5R,6R,8aS)-7'-[(3R,4aS,7R,8R,8'S,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-6,8-dihydro-3H-uro[3,4-g][1]benzouran]-8'-yl]-4'-hydroxy-1,1,4a,6-tetramethyl-6'-oxospiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-3,8-dihydrouro[2,3-e]isoindole]-2-yl] acetate
Manual XrefsDatabases
84651166ChemSpider