EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207024 - Chrodrimanin L

ChEBI IDCHEBI:207024
ChEBI NameChrodrimanin L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30Cl2O6
Net Charge0
Average Mass497.415
Monoisotopic Mass496.14194
SMILESC[C@@H]1Cc2c3c(c(Cl)c(O)c2C(=O)O1)O[C@@]1(C)[C@@H](O)C[C@H]2C(C)(C)C(=O)[C@@H](Cl)C[C@]2(C)[C@@H]1C3
InChIInChI=1S/C25H30Cl2O6/c1-10-6-11-12-7-15-24(4)9-13(26)21(30)23(2,3)14(24)8-16(28)25(15,5)33-20(12)18(27)19(29)17(11)22(31)32-10/h10,13-16,28-29H,6-9H2,1-5H3/t10-,13+,14+,15+,16+,24+,25-/m1/s1
InChIKeyAKANQXGAUVUBPO-JPAZTMTDSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28212032)
ChEBI Ontology
Outgoing Relation(s)
Chrodrimanin L (CHEBI:207024) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(1S,6R,14R,15S,17R,20S,22S)-11,20-dichloro-10,15-dihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3,9,11-triene-8,19-dione
Manual XrefsDatabases
78441640ChemSpider