CHEBI:212947 - Talarodilactone B

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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 Talarodilactone B
ChEBI ID CHEBI:212947
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H30O12
Net Charge 0
Average Mass 582.558
Monoisotopic Mass 582.17373
InChI InChI=1S/C30H30O12/c1-16-6-5-9-21(14-19(31)12-18-13-20(32)15-22(33)24(18)27(37)40-16)41-29(39)30(11-10-23(34)35)25(26(36)28(38)42-30)17-7-3-2-4-8-17/h2-4,7-8,13,15-16,21,32-33,36H,5-6,9-12,14H2,1H3,(H,34,35)/t16-,21+,30+/m0/s1
InChIKey UCDWMSCIASSXFW-GMSNYQIQSA-N
SMILES O=C1O[C@H](CCC[C@@H](OC(=O)[C@@]2(OC(=O)C(=C2C3=CC=CC=C3)O)CCC(=O)O)CC(CC=4C1=C(O)C=C(O)C4)=O)C
Metabolite of Species Details
Talaromyces rugulosus (NCBI:txid121627) See: PubMed
ChEBI Ontology
Outgoing Talarodilactone B (CHEBI:212947) is a macrolide (CHEBI:25106)
IUPAC Name
3-[(2R)-2-[[(4S,8R)-14,16-dihydroxy-4-methyl-2,10-dioxo-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-yl]oxycarbonyl]-4-hydroxy-5-oxo-3-phenyluran-2-yl]propanoic acid
Manual Xref Database
62816322 ChemSpider
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