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CHEBI:214347 - Chartarlactam Q

ChEBI IDCHEBI:214347
ChEBI NameChartarlactam Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H59NO8
Net Charge0
Average Mass753.977
Monoisotopic Mass753.42407
SMILESC[C@@H]1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@H]1OCc2cc(O)c4c(c21)O[C@]1(C4)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]21C)C3=O
InChIInChI=1S/C46H59NO8/c1-23-9-11-32-41(3,4)34(50)13-15-43(32,7)45(23)19-27-31(49)18-26-29(37(27)54-45)21-47(39(26)52)40-36-25(22-53-40)17-30(48)28-20-46(55-38(28)36)24(2)10-12-33-42(5,6)35(51)14-16-44(33,46)8/h17-18,23-24,32-33,35,40,48-49,51H,9-16,19-22H2,1-8H3/t23-,24-,32+,33+,35-,40+,43+,44+,45-,46-/m1/s1
InChIKeyDJTSDQFQHKTOOT-UBXGVPFCSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - PubMed (32289204)
ChEBI Ontology
Outgoing Relation(s)
Chartarlactam Q (CHEBI:214347) is a isoindoles (CHEBI:24897)
IUPAC Name 
(4aS,5R,6R,8aR)-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-tetramethylspiro[3,4,6,7,8,8a-hexahydronaphthalene-5,2'-3,8-dihydrouro[2,3-e]isoindole]-2,6'-dione
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