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CHEBI:217626 - MBJ-0030

ChEBI IDCHEBI:217626
ChEBI NameMBJ-0030
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H35NO7S
Net Charge0
Average Mass493.622
Monoisotopic Mass493.21342
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CCS(=O)(=O)O)C3=O
InChIInChI=1S/C25H35NO7S/c1-14-5-6-19-23(2,3)20(28)7-8-24(19,4)25(14)12-16-18(27)11-15-17(21(16)33-25)13-26(22(15)29)9-10-34(30,31)32/h11,14,19-20,27-28H,5-10,12-13H2,1-4H3,(H,30,31,32)/t14-,19+,20-,24+,25-/m1/s1
InChIKeyKURJUPXXEUTVSJ-TUJJLKMMSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (32338185)
ChEBI Ontology
Outgoing Relation(s)
MBJ-0030 (CHEBI:217626) is a isoindoles (CHEBI:24897)
IUPAC Name 
2-[(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-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]-7'-yl]ethanesulonic acid