EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211303 - 11-hydroxychevalone E

ChEBI IDCHEBI:211303
ChEBI Name11-hydroxychevalone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O5
Net Charge0
Average Mass430.585
Monoisotopic Mass430.27192
SMILESCc1cc(=O)c2c(o1)O[C@@]1(C)C[C@H](O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@H]1C2
InChIInChI=1S/C26H38O5/c1-14-11-16(27)15-12-19-25(5)9-7-18-23(2,3)20(29)8-10-24(18,4)21(25)17(28)13-26(19,6)31-22(15)30-14/h11,17-21,28-29H,7-10,12-13H2,1-6H3/t17-,18-,19-,20-,21+,24-,25-,26-/m0/s1
InChIKeyYZKUFEKNHFVINC-WKFMXCDASA-N
Species of MetaboliteComponentSourceComments
Aspergillus thermomutatus (ncbitaxon:41047) - PubMed (31278976)
ChEBI Ontology
Outgoing Relation(s)
11-hydroxychevalone E (CHEBI:211303) is a organic heterotricyclic compound (CHEBI:26979)
11-hydroxychevalone E (CHEBI:211303) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,2S,11S,13S,14R,15S,18S,20R)-13,18-dihydroxy-1,7,11,15,19,19-hexamethyl-8,10-dioxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),6-dien-5-one