CHEBI:213247 - Chaetoviridide 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 Chaetoviridide B
ChEBI ID CHEBI:213247
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H34ClNO7
Net Charge 0
Average Mass 520.020
Monoisotopic Mass 519.20238
InChI InChI=1S/C27H34ClNO7/c1-6-15(2)7-8-18-13-19-20(14-29(18)9-11-35-12-10-30)22-21(24(32)16(3)17(4)31)26(34)36-27(22,5)25(33)23(19)28/h7-8,13-17,30-31H,6,9-12H2,1-5H3/t15-,16-,17+,27-/m0/s1
InChIKey AYQSXCMMEWRPBK-BPOPISSKSA-N
SMILES ClC1=C2C(C3=C(C(=O)[C@H]([C@H](O)C)C)C(O[C@@]3(C1=O)C)=O)=CN(CCOCCO)C(=C2)C=C[C@H](CC)C
Metabolite of Species Details
Chaetomium (NCBI:txid5149) See: PubMed
ChEBI Ontology
Outgoing Chaetoviridide B (CHEBI:213247) is a isoquinolines (CHEBI:24922)
IUPAC Name
(6aS)-5-chloro-2-[2-(2-hydroxyethoxy)ethyl]-9-[(2S,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(3S)-3-methylpent-1-enyl]uro[2,3-h]isoquinoline-6,8-dione
Manual Xref Database
78439257 ChemSpider
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