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CHEBI:198510 - F1839-F

ChEBI IDCHEBI:198510
ChEBI NameF1839-F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO7
Net Charge0
Average Mass501.620
Monoisotopic Mass501.27265
SMILESCOC(=O)CCCN1Cc2c(cc(O)c3c2O[C@]2(C3)[C@H](C)CC[C@H]3C(C)(C)[C@H](O)[C@H](O)C[C@@]32C)C1=O
InChIInChI=1S/C28H39NO7/c1-15-8-9-21-26(2,3)24(33)20(31)13-27(21,4)28(15)12-17-19(30)11-16-18(23(17)36-28)14-29(25(16)34)10-6-7-22(32)35-5/h11,15,20-21,24,30-31,33H,6-10,12-14H2,1-5H3/t15-,20-,21+,24-,27+,28-/m1/s1
InChIKeyOGPJWDUXARBBHQ-DHZUNVPCSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (7622428)
ChEBI Ontology
Outgoing Relation(s)
F1839-F (CHEBI:198510) is a isoindoles (CHEBI:24897)
IUPAC Name 
methyl 4-[(2R,3S,4aS,7R,8R,8aS)-2,3,4'-trihydroxy-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]butanoate
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