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CHEBI:200381 - (2S,3R)-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]-3-hydroxybutanoic acid

ChEBI IDCHEBI:200381
ChEBI Name(2S,3R)-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]-3-hydroxybutanoic 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)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@H](C(=O)O)[C@@H](C)O)C3=O
InChIInChI=1S/C27H37NO7/c1-13-6-7-19-25(3,4)20(31)8-9-26(19,5)27(13)11-16-18(30)10-15-17(22(16)35-27)12-28(23(15)32)21(14(2)29)24(33)34/h10,13-14,19-21,29-31H,6-9,11-12H2,1-5H3,(H,33,34)/t13-,14-,19+,20-,21+,26+,27-/m1/s1
InChIKeyJEEJYUDPFTZKDZ-ISNDBANDSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - DOI (10.1016/j.tet.2004.01.014)
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-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]-3-hydroxybutanoic acid (CHEBI:200381) is a isoindoles (CHEBI:24897)
IUPAC Name 
(2S,3R)-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]-3-hydroxybutanoic acid
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