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CHEBI:204013 - (2S)-2-[(2R,2'R,4'aS,6'R,8'aS)-2',4-dihydroxy-1',1',4'a,6'-tetramethyl-6-oxo-spiro[3,8-dihydrofuro[2,3-e]isoindole-2,5'-decalin]-7-yl]pentanedioic acid

ChEBI IDCHEBI:204013
ChEBI Name(2S)-2-[(2R,2'R,4'aS,6'R,8'aS)-2',4-dihydroxy-1',1',4'a,6'-tetramethyl-6-oxo-spiro[3,8-dihydrofuro[2,3-e]isoindole-2,5'-decalin]-7-yl]pentanedioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO8
Net Charge0
Average Mass515.603
Monoisotopic Mass515.25192
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@@H](CCC(=O)O)C(=O)O)C3=O
InChIInChI=1S/C28H37NO8/c1-14-5-7-20-26(2,3)21(31)9-10-27(20,4)28(14)12-16-19(30)11-15-17(23(16)37-28)13-29(24(15)34)18(25(35)36)6-8-22(32)33/h11,14,18,20-21,30-31H,5-10,12-13H2,1-4H3,(H,32,33)(H,35,36)/t14-,18+,20+,21-,27+,28-/m1/s1
InChIKeyQZGOQORSUIQVIR-ANCPPULHSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - DOI (10.1016/j.tet.2004.01.014)
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[(2R,2'R,4'aS,6'R,8'aS)-2',4-dihydroxy-1',1',4'a,6'-tetramethyl-6-oxo-spiro[3,8-dihydrofuro[2,3-e]isoindole-2,5'-decalin]-7-yl]pentanedioic acid (CHEBI:204013) is a glutamic acid derivative (CHEBI:24315)
IUPAC Name 
(2S)-2-[(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]pentanedioic acid
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