CHEBI:213235 - Chaetoviridide 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 Chaetoviridide A
ChEBI ID CHEBI:213235
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H31ClN2O7
Net Charge 0
Average Mass 567.040
Monoisotopic Mass 566.18198
InChI InChI=1S/C30H31ClN2O7/c1-6-15(2)7-10-19-13-21-22(14-33(19)32-28(38)18-8-11-20(35)12-9-18)24-23(26(36)16(3)17(4)34)29(39)40-30(24,5)27(37)25(21)31/h7-17,34-35H,6H2,1-5H3,(H,32,38)/t15-,16-,17+,30-/m0/s1
InChIKey SXIQVVVVQFRQPF-YKQROQGFSA-N
SMILES ClC1=C2C(C3=C(C(=O)[C@H]([C@H](O)C)C)C(O[C@@]3(C1=O)C)=O)=CN(NC(=O)C4=CC=C(O)C=C4)C(=C2)C=C[C@H](CC)C
Metabolite of Species Details
Chaetomium (NCBI:txid5149) See: PubMed
ChEBI Ontology
Outgoing Chaetoviridide A (CHEBI:213235) is a isoquinolines (CHEBI:24922)
IUPAC Name
N-[(6aS)-5-chloro-9-[(2S,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(3S)-3-methylpent-1-enyl]-6,8-dioxouro[2,3-h]isoquinolin-2-yl]-4-hydroxybenzamide
Manual Xref Database
78439255 ChemSpider
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