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CHEBI:221136 - Spirodihydrobenzofuranlactam VI

ChEBI IDCHEBI:221136
ChEBI NameSpirodihydrobenzofuranlactam VI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H70N2O10
Net Charge0
Average Mass883.136
Monoisotopic Mass882.50305
SMILESCC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(cc3c(c1O)CN(CCCCC(C(=O)O)N1Cc4c(cc5c(c4O)CC4(O5)C(C)CCC5C(C)(C)C(O)CCC54C)C1=O)C3=O)O2
InChIInChI=1S/C52H70N2O10/c1-27-12-14-38-47(3,4)40(55)16-18-49(38,7)51(27)23-31-36(63-51)21-29-33(42(31)57)25-53(44(29)59)20-10-9-11-35(46(61)62)54-26-34-30(45(54)60)22-37-32(43(34)58)24-52(64-37)28(2)13-15-39-48(5,6)41(56)17-19-50(39,52)8/h21-22,27-28,35,38-41,55-58H,9-20,23-26H2,1-8H3,(H,61,62)
InChIKeyBAOXTRUCPUGSIU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Stachybotrysspecies (ncbitaxon:1718872) - PubMed (8642001)
ChEBI Ontology
Outgoing Relation(s)
Spirodihydrobenzofuranlactam VI (CHEBI:221136) is a isoindoles (CHEBI:24897)
IUPAC Name 
2,6-bis(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)hexanoic acid
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