EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226041 - Dihydroaltersolanol

ChEBI IDCHEBI:226041
ChEBI NameDihydroaltersolanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O7
Net Charge0
Average Mass322.313
Monoisotopic Mass322.10525
SMILESCOc1cc(O)c2c(c1)[C@H](O)[C@@H]1C(=C[C@@H](O)[C@@](C)(O)[C@@H]1O)C2=O
InChIInChI=1S/C16H18O7/c1-16(22)10(18)5-8-12(15(16)21)14(20)7-3-6(23-2)4-9(17)11(7)13(8)19/h3-5,10,12,14-15,17-18,20-22H,1-2H3/t10-,12+,14+,15-,16-/m1/s1
InChIKeyMLOZPTTXVAPEPM-YXLJTMCISA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies ZJ-2008003 (ncbitaxon:1081808) - PubMed (22276679)
ChEBI Ontology
Outgoing Relation(s)
Dihydroaltersolanol (CHEBI:226041) is a anthracenes (CHEBI:46955)
IUPAC Name 
(2R,3R,4R,4aS,10R)-2,3,4,8,10-pentahydroxy-6-methoxy-3-methyl-2,4,4a,10-tetrahydroanthracen-9-one
Manual XrefsDatabases
28504333ChemSpider