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CHEBI:225879 - Talauxin E

ChEBI IDCHEBI:225879
ChEBI NameTalauxin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H29NO14
Net Charge0
Average Mass675.599
Monoisotopic Mass675.15880
SMILESCO[C@@]12c3c(C)cc(O)c4c(=O)n([C@@H](CCC(=O)O)C(=O)O)cc(c34)C(=O)[C@@H]1[C@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@H]2[C@@H]3OC(C)=O
InChIInChI=1S/C34H29NO14/c1-11-7-17(38)22-24-19(11)27(42)25-29(49-13(3)36)33(24,10-48-32(22)46)28-26(41)14-9-35(15(31(44)45)5-6-18(39)40)30(43)21-16(37)8-12(2)23(20(14)21)34(25,28)47-4/h7-9,15,25,28-29,37-38H,5-6,10H2,1-4H3,(H,39,40)(H,44,45)/t15-,25-,28+,29-,33-,34+/m0/s1
InChIKeyXOFZNZUNQSMXDG-LGUJPJRRSA-N
Species of MetaboliteComponentSourceComments
Talaromyces stipitatus (ncbitaxon:28564) - PubMed (32119543)
ChEBI Ontology
Outgoing Relation(s)
Talauxin E (CHEBI:225879) is a prostanoid (CHEBI:26347)
IUPAC Name 
(2S)-2-[(1R,2R,13S,14S,24S)-24-acetyloxy-9,19-dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-22-oxa-6-azaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8,10,12(26),16(25),17,19-heptaen-6-yl]pentanedioic acid