EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:213247 - Chaetoviridide B

ChEBI IDCHEBI:213247
ChEBI NameChaetoviridide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34ClNO7
Net Charge0
Average Mass520.022
Monoisotopic Mass519.20238
SMILESCC[C@H](C)C=CC1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@@H](C)[C@@H](C)O)=C3C2=CN1CCOCCO
InChIInChI=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
InChIKeyAYQSXCMMEWRPBK-BPOPISSKSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (29438326)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78439257ChemSpider