CHEBI:204963 - Beauveriolide VIII

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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 Beauveriolide VIII
ChEBI ID CHEBI:204963
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H45N3O5
Net Charge 0
Average Mass 467.651
Monoisotopic Mass 467.33592
InChI InChI=1S/C25H45N3O5/c1-8-10-11-12-13-17(6)19-14-20(29)27-21(15(3)4)24(31)26-18(7)23(30)28-22(16(5)9-2)25(32)33-19/h15-19,21-22H,8-14H2,1-7H3,(H,26,31)(H,27,29)(H,28,30)/t16-,17?,18-,19?,21-,22?/m0/s1
InChIKey KUFKYQCIWKVNSR-GGYXBBRBSA-N
SMILES O=C1OC(C(CCCCCC)C)CC(=O)N[C@@H](C(C)C)C(N[C@H](C(NC1[C@H](CC)C)=O)C)=O
Metabolite of Species Details
Beauveria (NCBI:txid5581) See: PubMed
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 Beauveriolide VIII (CHEBI:204963) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(6S,9S)-3-[(2S)-butan-2-yl]-6-methyl-13-octan-2-yl-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Manual Xref Database
78445136 ChemSpider
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