CHEBI:209967 - Talaromytin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Talaromytin
ChEBI ID CHEBI:209967
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C30H32O13
Net Charge 0
Average Mass 600.573
Monoisotopic Mass 600.18429
InChI InChI=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
InChIKey PXAYLRKXGMDOKF-SZELKDGBSA-N
SMILES O=C1OC([C@@]2(C(=C)[C@@]34O[C@@H]3[C@]5(OC([C@]67O[C@@H]([C@H]2OC(=O)/C(=C/C)/CO)[C@@]4([C@@]7(C(=O)O[C@@H]6C)[C@@]5(O)C=O)C)=O)C)C=C1)(C)C
Metabolite of Species Details
Talaromyces (NCBI:txid5094) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78434503 ChemSpider
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