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CHEBI:205238 - Chartarlactam D

ChEBI IDCHEBI:205238
ChEBI NameChartarlactam D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H41NO9
Net Charge0
Average Mass547.645
Monoisotopic Mass547.27813
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c(c1O2)CNC3=O
InChIInChI=1S/C29H41NO9/c1-13-5-6-19-27(2,3)20(32)7-8-28(19,4)29(13)10-15-17(9-14-16(24(15)39-29)11-30-25(14)36)37-26-23(35)22(34)21(33)18(12-31)38-26/h9,13,18-23,26,31-35H,5-8,10-12H2,1-4H3,(H,30,36)/t13-,18-,19+,20-,21-,22+,23-,26+,28+,29-/m1/s1
InChIKeyMRDTZTOWXPWUHM-ISWHWHLFSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (24387683)
ChEBI Ontology
Outgoing Relation(s)
Chartarlactam D (CHEBI:205238) is a glycoside (CHEBI:24400)
IUPAC Name 
(3R,4aS,7R,8R,8aS)-3-hydroxy-4,4,7,8a-tetramethyl-4'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-7,8-dihydro-3H-uro[2,3-e]isoindole]-6'-one
Manual XrefsDatabases
31128902ChemSpider