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CHEBI:199725 - F1839-D

ChEBI IDCHEBI:199725
ChEBI NameF1839-D
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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)C(=O)NC3
InChIInChI=1S/C23H31NO5/c1-11-5-6-16-21(2,3)19(27)15(26)9-22(16,4)23(11)8-13-14(25)7-12-10-24-20(28)17(12)18(13)29-23/h7,11,15-16,19,25-27H,5-6,8-10H2,1-4H3,(H,24,28)/t11-,15-,16+,19-,22+,23-/m1/s1
InChIKeyNAYYHXFGJRKHMB-OKXHAOHDSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (7622428)
ChEBI Ontology
Outgoing Relation(s)
F1839-D (CHEBI:199725) 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'-6,7-dihydro-3H-uro[3,2-g]isoindole]-8'-one
Manual XrefsDatabases
8539131ChemSpider