CHEBI:204171 - Desmethylisaridin G

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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 Desmethylisaridin G
ChEBI ID CHEBI:204171
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H53N5O8
Net Charge 0
Average Mass 671.836
Monoisotopic Mass 671.38941
InChI InChI=1S/C35H53N5O8/c1-20(2)17-25-31(43)36-15-14-29(42)48-28(18-21(3)4)35(47)40-16-8-9-27(40)32(44)38-26(19-23-10-12-24(41)13-11-23)34(46)39(7)30(22(5)6)33(45)37-25/h10-13,20-22,25-28,30,41H,8-9,14-19H2,1-7H3,(H,36,43)(H,37,45)(H,38,44)/t25-,26-,27-,28-,30-/m0/s1
InChIKey HHULIGBQYWXQSW-KGEMVMTLSA-N
SMILES O=C1N([C@H](C(=O)N[C@H](C(=O)NCCC(O[C@H](C(N2[C@H](C(N[C@H]1CC3=CC=C(O)C=C3)=O)CCC2)=O)CC(C)C)=O)CC(C)C)C(C)C)C
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Desmethylisaridin G (CHEBI:204171) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,10S,13S,16S,19S)-16-[(4-hydroxyphenyl)methyl]-14-methyl-3,10-bis(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Manual Xref Database
32674905 ChemSpider
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