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CHEBI:213536 - Chartarlactam C

ChEBI IDCHEBI:213536
ChEBI NameChartarlactam C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31NO5
Net Charge0
Average Mass401.503
Monoisotopic Mass401.22022
SMILESC[C@@H]1CC[C@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CNC3=O
InChIInChI=1S/C23H31NO5/c1-12-4-5-17-21(2,11-25)18(27)6-7-22(17,3)23(12)9-14-16(26)8-13-15(19(14)29-23)10-24-20(13)28/h8,12,17-18,25-27H,4-7,9-11H2,1-3H3,(H,24,28)/t12-,17+,18-,21+,22+,23-/m1/s1
InChIKeyUKFJJQFTYRFTPB-MLQVOUEBSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (24387683)
ChEBI Ontology
Outgoing Relation(s)
Chartarlactam C (CHEBI:213536) is a isoindoles (CHEBI:24897)
IUPAC Name 
(3R,4R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4-(hydroxymethyl)-4,7,8a-trimethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-7,8-dihydro-3H-uro[2,3-e]isoindole]-6'-one
Manual XrefsDatabases
31128892ChemSpider