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CHEBI:200849 - F1839-J

ChEBI IDCHEBI:200849
ChEBI NameF1839-J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H41NO6
Net Charge0
Average Mass499.648
Monoisotopic Mass499.29339
SMILESCOC(=O)CCCCN1Cc2c(cc(O)c3c2O[C@]2(C3)[C@H](C)CC[C@H]3C(C)(C)[C@H](O)CC[C@@]32C)C1=O
InChIInChI=1S/C29H41NO6/c1-17-9-10-22-27(2,3)23(32)11-12-28(22,4)29(17)15-19-21(31)14-18-20(25(19)36-29)16-30(26(18)34)13-7-6-8-24(33)35-5/h14,17,22-23,31-32H,6-13,15-16H2,1-5H3/t17-,22+,23-,28+,29-/m1/s1
InChIKeyJYYKGOQDSFGUFU-UCHQKYJDSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (7622428)
ChEBI Ontology
Outgoing Relation(s)
F1839-J (CHEBI:200849) is a isoindoles (CHEBI:24897)
IUPAC Name 
methyl 5-[(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]pentanoate
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8499149ChemSpider