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CHEBI:206698 - Chrodrimanin O

ChEBI IDCHEBI:206698
ChEBI NameChrodrimanin O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H29Cl3O6
Net Charge0
Average Mass531.860
Monoisotopic Mass530.10297
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(Cl)(Cl)C[C@]2(C)[C@@H]1C3
InChIInChI=1S/C25H29Cl3O6/c1-10-6-11-12-7-14-23(4)9-25(27,28)21(32)22(2,3)13(23)8-15(29)24(14,5)34-19(12)17(26)18(30)16(11)20(31)33-10/h10,13-15,29-30H,6-9H2,1-5H3/t10-,13+,14+,15+,23+,24-/m1/s1
InChIKeyHIERVQFIXYRVKY-YMQFFYSRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28807715)
ChEBI Ontology
Outgoing Relation(s)
Chrodrimanin O (CHEBI:206698) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(1S,6R,14R,15S,17R,22S)-11,20,20-trichloro-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
62429266ChemSpider