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CHEBI:225603 - F1839-E

ChEBI IDCHEBI:225603
ChEBI NameF1839-E
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SubmitterMetaboLights
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FormulaC25H35NO6
Net Charge0
Average Mass445.556
Monoisotopic Mass445.24644
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CCO)C3=O
InChIInChI=1S/C25H35NO6/c1-13-5-6-19-23(2,3)21(30)18(29)11-24(19,4)25(13)10-15-17(28)9-14-16(20(15)32-25)12-26(7-8-27)22(14)31/h9,13,18-19,21,27-30H,5-8,10-12H2,1-4H3/t13-,18-,19+,21-,24+,25-/m1/s1
InChIKeyPAILZINGRRXKCY-RNIWIPBASA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (7622428)
ChEBI Ontology
Outgoing Relation(s)
F1839-E (CHEBI:225603) is a isoindoles (CHEBI:24897)
IUPAC Name 
(2R,3S,4aS,7R,8R,8aS)-2,3,4'-trihydroxy-7'-(2-hydroxyethyl)-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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8202119ChemSpider