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CHEBI:207679 - TAN-1813

ChEBI IDCHEBI:207679
ChEBI NameTAN-1813
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H35NO6
Net Charge0
Average Mass457.567
Monoisotopic Mass457.24644
SMILESC=C[C@H](CCCCC)C1=C(C(=O)C2C3[C@@H](C)C[C@@H](C(=O)O)C[C@@]3(O)C=C[C@H]2C)C(=O)NC1=O
InChIInChI=1S/C26H35NO6/c1-5-7-8-9-16(6-2)19-20(24(30)27-23(19)29)22(28)18-14(3)10-11-26(33)13-17(25(31)32)12-15(4)21(18)26/h6,10-11,14-18,21,33H,2,5,7-9,12-13H2,1,3-4H3,(H,31,32)(H,27,29,30)/t14-,15+,16-,17-,18?,21?,26+/m1/s1
InChIKeyDLAQLPWTEPAWGC-OZDNBXTOSA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - PubMed (11079798)
ChEBI Ontology
Outgoing Relation(s)
TAN-1813 (CHEBI:207679) is a maleimides (CHEBI:55417)
IUPAC Name 
(2R,4S,6R,8aR)-8a-hydroxy-4,6-dimethyl-5-[4-[(3S)-oct-1-en-3-yl]-2,5-dioxopyrrole-3-carbonyl]-2,3,4,4a,5,6-hexahydro-1H-naphthalene-2-carboxylic acid
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78441471ChemSpider