CHEBI:227506 - Melearoride A

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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 Melearoride A
ChEBI ID CHEBI:227506
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H47NO4
Net Charge 0
Average Mass 485.709
Monoisotopic Mass 485.35051
InChI InChI=1S/C30H47NO4/c1-6-7-8-12-27-17-14-24(4)11-9-10-13-29(32)31(5)28(30(33)35-27)22-25-15-18-26(19-16-25)34-21-20-23(2)3/h15-16,18-20,24,27-28H,6-14,17,21-22H2,1-5H3/t24-,27-,28+/m1/s1
InChIKey IJMPIKIOJQQJCA-RTVRTQBESA-N
SMILES O=C1O[C@@H](CC[C@@H](CCCCC(N([C@H]1CC2=CC=C(OCC=C(C)C)C=C2)C)=O)C)CCCCC
Metabolite of Species Details
Penicillium meleagrinum var. viridiflavum (NCBI:txid439017) See: PubMed
ChEBI Ontology
Outgoing Melearoride A (CHEBI:227506) is a lactam (CHEBI:24995)
Melearoride A (CHEBI:227506) is a macrolide (CHEBI:25106)
IUPAC Name
(3S,10R,13R)-4,10-dimethyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-13-pentyl-1-oxa-4-azacyclotridecane-2,5-dione
Manual Xref Database
58196764 ChemSpider
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