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CHEBI:214365 - Chartarlactam T

ChEBI IDCHEBI:214365
ChEBI NameChartarlactam T
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H65NO11
Net Charge0
Average Mass856.066
Monoisotopic Mass855.45576
SMILESCC(=O)O[C@@H]1[C@H](OC(C)=O)C[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/C50H65NO11/c1-24-11-13-36-45(5,6)38(56)15-16-47(36,9)49(24)20-31-33(54)17-28-23-58-44(39(28)41(31)62-49)51-22-32-29(43(51)57)18-34(55)30-19-50(61-40(30)32)25(2)12-14-37-46(7,8)42(60-27(4)53)35(59-26(3)52)21-48(37,50)10/h17-18,24-25,35-38,42,44,54-56H,11-16,19-23H2,1-10H3/t24-,25-,35-,36+,37+,38-,42-,44+,47+,48+,49-,50-/m1/s1
InChIKeyHIRYJIGGRITNLY-JWJBWDNQSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - PubMed (32289204)
ChEBI Ontology
Outgoing Relation(s)
Chartarlactam T (CHEBI:214365) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(2R,3S,4aS,7R,8R,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]-3-acetyloxy-4'-hydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-2-yl] acetate
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