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CHEBI:205038 - 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]butanoic acid

ChEBI IDCHEBI:205038
ChEBI Name4-[(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]butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37NO7
Net Charge0
Average Mass487.593
Monoisotopic Mass487.25700
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CCCC(=O)O)C3=O
InChIInChI=1S/C27H37NO7/c1-14-7-8-20-25(2,3)23(33)19(30)12-26(20,4)27(14)11-16-18(29)10-15-17(22(16)35-27)13-28(24(15)34)9-5-6-21(31)32/h10,14,19-20,23,29-30,33H,5-9,11-13H2,1-4H3,(H,31,32)/t14-,19-,20+,23-,26+,27-/m1/s1
InChIKeyWENVIACWNHYPLR-CHYXLBAVSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - DOI (10.1016/j.tet.2004.01.014)
ChEBI Ontology
Outgoing Relation(s)
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]butanoic acid (CHEBI:205038) is a isoindoles (CHEBI:24897)
IUPAC Name 
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]butanoic acid
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