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CHEBI:225899 - Talauxin I

ChEBI IDCHEBI:225899
ChEBI NameTalauxin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H33NO12
Net Charge0
Average Mass659.644
Monoisotopic Mass659.20028
SMILESCC[C@H](C)[C@@H](C(=O)O)n1cc2c3c(c(C)cc(O)c3c1=O)[C@]1(OC)[C@H](C2=O)[C@]23COC(=O)c4c(O)cc(C)c(c42)C(=O)[C@H]1[C@@H]3OC(C)=O
InChIInChI=1S/C35H33NO12/c1-7-12(2)26(32(43)44)36-10-16-20-21(31(36)42)17(38)9-14(4)23(20)35(46-6)25-28(41)19-13(3)8-18(39)22-24(19)34(11-47-33(22)45,29(35)27(16)40)30(25)48-15(5)37/h8-10,12,25-26,29-30,38-39H,7,11H2,1-6H3,(H,43,44)/t12-,25-,26-,29+,30-,34-,35+/m0/s1
InChIKeyAFDHJWXGYOVNBW-IQLHXSQNSA-N
Species of MetaboliteComponentSourceComments
Talaromyces stipitatus (ncbitaxon:28564) - PubMed (32119543)
ChEBI Ontology
Outgoing Relation(s)
Talauxin I (CHEBI:225899) is a prostanoid (CHEBI:26347)
IUPAC Name 
(2S,3S)-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]-3-methylpentanoic acid