CHEBI:218510 - Beauverolide-La

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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 Beauverolide-La
ChEBI ID CHEBI:218510
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H45N3O5
Net Charge 0
Average Mass 515.695
Monoisotopic Mass 515.33592
InChI InChI=1S/C29H45N3O5/c1-6-8-9-11-14-20(4)24-18-25(33)31-23(17-22-15-12-10-13-16-22)28(35)30-21(5)27(34)32-26(19(3)7-2)29(36)37-24/h10,12-13,15-16,19-21,23-24,26H,6-9,11,14,17-18H2,1-5H3,(H,30,35)(H,31,33)(H,32,34)
InChIKey LJKNHIBJQYSBGK-UHFFFAOYSA-N
SMILES O=C1OC(C(CCCCCC)C)CC(=O)NC(CC2=CC=CC=C2)C(NC(C(NC1C(CC)C)=O)C)=O
Metabolite of Species Details
Beauveria tenella (NCBI:txid37999) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Beauverolide-La (CHEBI:218510) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
9-benzyl-3-butan-2-yl-6-methyl-13-octan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Manual Xref Database
78444320 ChemSpider
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