CHEBI:204724 - Chaetomugilide B

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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 Chaetomugilide B
ChEBI ID CHEBI:204724
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28ClNO5
Net Charge 0
Average Mass 457.950
Monoisotopic Mass 457.16560
InChI InChI=1S/C25H28ClNO5/c1-6-14(3)8-9-16-12-17-18(13-27(16)10-11-28)20-19(22(29)15(4)7-2)24(31)32-25(20,5)23(30)21(17)26/h7-9,12-14,28H,6,10-11H2,1-5H3/t14-,25-/m0/s1
InChIKey ZWHHMQBLGKFXFB-SXBQZSJRSA-N
SMILES ClC1=C2C(C3=C(C(=O)C(=CC)C)C(O[C@@]3(C1=O)C)=O)=CN(CCO)C(=C2)C=C[C@H](CC)C
Metabolite of Species Details
Chaetomium (NCBI:txid5149) See: PubMed
ChEBI Ontology
Outgoing Chaetomugilide B (CHEBI:204724) is a isoquinolines (CHEBI:24922)
IUPAC Name
(6aS)-5-chloro-2-(2-hydroxyethyl)-6a-methyl-9-(2-methylbut-2-enoyl)-3-[(3S)-3-methylpent-1-enyl]uro[2,3-h]isoquinoline-6,8-dione
Manual Xref Database
78441013 ChemSpider
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