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CHEBI:209967 - Talaromytin

ChEBI IDCHEBI:209967
ChEBI NameTalaromytin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H32O13
Net Charge0
Average Mass600.573
Monoisotopic Mass600.18429
SMILESC=C1[C@@]23O[C@@H]2[C@@]2(C)OC(=O)[C@@]45O[C@@H]([C@@H](OC(=O)/C(=C/C)CO)[C@@]16C=CC(=O)OC6(C)C)[C@]3(C)[C@@]4(C(=O)O[C@@H]5C)[C@@]2(O)C=O
InChIInChI=1S/C30H32O13/c1-8-15(11-31)19(34)39-18-17-24(6)28(13(2)26(18)10-9-16(33)40-23(26,4)5)20(42-28)25(7)27(37,12-32)30(24)22(36)38-14(3)29(30,41-17)21(35)43-25/h8-10,12,14,17-18,20,31,37H,2,11H2,1,3-7H3/b15-8+/t14-,17+,18-,20-,24+,25-,26-,27-,28-,29-,30+/m1/s1
InChIKeyPXAYLRKXGMDOKF-SZELKDGBSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (31364857)
ChEBI Ontology
Outgoing Relation(s)
Talaromytin (CHEBI:209967) has functional parent tetracarboxylic acid (CHEBI:35742)
Talaromytin (CHEBI:209967) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,2S,3R,4S,5R,7S,9S,10R,13R,14R,17S)-17-ormyl-17-hydroxy-2,2',2',10,14-pentamethyl-6-methylidene-6',12,16-trioxospiro[8,11,15,18-tetraoxahexacyclo[8.6.1.13,13.01,13.02,7.07,9]octadecane-5,3'-pyran]-4-yl] (E)-2-(hydroxymethyl)but-2-enoate
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