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CHEBI:214359 - Chartarlactam S

ChEBI IDCHEBI:214359
ChEBI NameChartarlactam S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H61NO9
Net Charge0
Average Mass771.992
Monoisotopic Mass771.43463
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)[C@@H](N1Cc2c(cc(O)c4c2O[C@]2(C4)[C@H](C)CC[C@H]4C(C)(C)[C@H](O)[C@H](O)C[C@@]42C)C1=O)OC3
InChIInChI=1S/C46H61NO9/c1-22-9-11-32-41(3,4)34(51)13-14-43(32,7)45(22)18-27-29(48)15-24-21-54-40(35(24)37(27)56-45)47-20-28-25(39(47)53)16-30(49)26-17-46(55-36(26)28)23(2)10-12-33-42(5,6)38(52)31(50)19-44(33,46)8/h15-16,22-23,31-34,38,40,48-52H,9-14,17-21H2,1-8H3/t22-,23-,31-,32+,33+,34-,38-,40+,43+,44+,45-,46-/m1/s1
InChIKeyVRYGGBMCRMUSMU-JIBYKCGYSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - PubMed (32289204)
ChEBI Ontology
Outgoing Relation(s)
Chartarlactam S (CHEBI:214359) 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]-2,3,4'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-6'-one
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