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CHEBI:209357 - Spirodihydrobenzofuranlactam III

ChEBI IDCHEBI:209357
ChEBI NameSpirodihydrobenzofuranlactam III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO6
Net Charge0
Average Mass485.621
Monoisotopic Mass485.27774
SMILESCC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(cc3c(c1O)CN(CCCCC(=O)O)C3=O)O2
InChIInChI=1S/C28H39NO6/c1-16-8-9-21-26(2,3)22(30)10-11-27(21,4)28(16)14-18-20(35-28)13-17-19(24(18)33)15-29(25(17)34)12-6-5-7-23(31)32/h13,16,21-22,30,33H,5-12,14-15H2,1-4H3,(H,31,32)
InChIKeyYXXJZDHHJXYRMR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Stachybotrysspecies (ncbitaxon:1718872) - PubMed (8642001)
ChEBI Ontology
Outgoing Relation(s)
Spirodihydrobenzofuranlactam III (CHEBI:209357) is a isoindoles (CHEBI:24897)
IUPAC Name 
5-(3,4'-dihydroxy-4,4,7,8a-tetramethyl-7'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,5-dihydrouro[2,3-]isoindole]-6'-yl)pentanoic acid
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412724ChemSpider