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CHEBI:216147 - F1839-A

ChEBI IDCHEBI:216147
ChEBI NameF1839-A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31NO5
Net Charge0
Average Mass401.503
Monoisotopic Mass401.22022
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CNC3=O
InChIInChI=1S/C23H31NO5/c1-11-5-6-17-21(2,3)19(27)16(26)9-22(17,4)23(11)8-13-15(25)7-12-14(18(13)29-23)10-24-20(12)28/h7,11,16-17,19,25-27H,5-6,8-10H2,1-4H3,(H,24,28)/t11-,16-,17+,19-,22+,23-/m1/s1
InChIKeyRUBLIKRGQGISNL-DXORJMCXSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (7622428)
ChEBI Ontology
Outgoing Relation(s)
F1839-A (CHEBI:216147) is a isoindoles (CHEBI:24897)
IUPAC Name 
(2R,3S,4aS,7R,8R,8aS)-2,3,4'-trihydroxy-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
8245175ChemSpider