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CHEBI:203743 - F1839-B

ChEBI IDCHEBI:203743
ChEBI NameF1839-B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H33NO6
Net Charge0
Average Mass431.529
Monoisotopic Mass431.23079
SMILESCOC1NC(=O)c2cc(O)c3c(c21)O[C@]1(C3)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]21C
InChIInChI=1S/C24H33NO6/c1-11-6-7-16-22(2,3)19(28)15(27)10-23(16,4)24(11)9-13-14(26)8-12-17(18(13)31-24)21(30-5)25-20(12)29/h8,11,15-16,19,21,26-28H,6-7,9-10H2,1-5H3,(H,25,29)/t11-,15-,16+,19-,21?,23+,24-/m1/s1
InChIKeyXWOBYGVFHSMINH-SSBFEFMJSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (7622428)
ChEBI Ontology
Outgoing Relation(s)
F1839-B (CHEBI:203743) is a isoindoles (CHEBI:24897)
IUPAC Name 
(2R,3S,4aS,7R,8R,8aS)-2,3,4'-trihydroxy-8'-methoxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-7,8-dihydro-3H-uro[2,3-e]isoindole]-6'-one
Manual XrefsDatabases
8496009ChemSpider