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CHEBI:211344 - Chartarlactam B

ChEBI IDCHEBI:211344
ChEBI NameChartarlactam B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO6
Net Charge0
Average Mass485.621
Monoisotopic Mass485.27774
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CCCCC(=O)O)C3=O
InChIInChI=1S/C28H39NO6/c1-16-8-9-21-26(2,3)22(31)10-11-27(21,4)28(16)14-18-20(30)13-17-19(24(18)35-28)15-29(25(17)34)12-6-5-7-23(32)33/h13,16,21-22,30-31H,5-12,14-15H2,1-4H3,(H,32,33)/t16-,21+,22-,27+,28-/m1/s1
InChIKeyOPCQWQMQPFYESC-SELUXCBJSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (24387683)
ChEBI Ontology
Outgoing Relation(s)
Chartarlactam B (CHEBI:211344) is a isoindoles (CHEBI:24897)
IUPAC Name 
5-[(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]pentanoic acid
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31128891ChemSpider