CHEBI:225889 - Talauxin V

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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 Talauxin V
ChEBI ID CHEBI:225889
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H31NO12
Net Charge 0
Average Mass 645.617
Monoisotopic Mass 645.18463
InChI InChI=1S/C34H31NO12/c1-11(2)25(31(42)43)35-9-15-19-20(30(35)41)16(37)8-13(4)22(19)34(45-6)24-27(40)18-12(3)7-17(38)21-23(18)33(10-46-32(21)44,28(34)26(15)39)29(24)47-14(5)36/h7-9,11,24-25,28-29,37-38H,10H2,1-6H3,(H,42,43)/t24-,25-,28+,29-,33-,34+/m0/s1
InChIKey IIYZOTFURSVWBN-GXBIPTPMSA-N
SMILES O=C1OC[C@]23[C@H]4C(=O)C=5C=6C(C(=O)N(C5)[C@H](C(=O)O)C(C)C)=C(O)C=C(C6[C@@]4(OC)[C@H]([C@@H]2OC(=O)C)C(C7=C3C1=C(O)C=C7C)=O)C
Metabolite of Species Details
Talaromyces stipitatus (NCBI:txid28564) See: PubMed
ChEBI Ontology
Outgoing Talauxin V (CHEBI:225889) 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]-3-methylbutanoic acid