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CHEBI:223955 - Chevalone E

ChEBI IDCHEBI:223955
ChEBI NameChevalone E
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SubmitterMetaboLights
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FormulaC26H38O4
Net Charge0
Average Mass414.586
Monoisotopic Mass414.27701
SMILESCc1cc(=O)c2c(o1)O[C@@]1(C)CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@H]1C2
InChIInChI=1S/C26H38O4/c1-15-13-17(27)16-14-20-25(5)10-7-18-23(2,3)21(28)9-11-24(18,4)19(25)8-12-26(20,6)30-22(16)29-15/h13,18-21,28H,7-12,14H2,1-6H3/t18-,19+,20-,21-,24-,25+,26-/m0/s1
InChIKeyPSHUZQHBLAPAMD-KFCOXGNHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25317534)
ChEBI Ontology
Outgoing Relation(s)
Chevalone E (CHEBI:223955) is a organic heterotricyclic compound (CHEBI:26979)
Chevalone E (CHEBI:223955) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,2S,11S,14R,15R,18S,20R)-18-hydroxy-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
Manual XrefsDatabases
34981348ChemSpider