EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206162 - Dasyscyphin E

ChEBI IDCHEBI:206162
ChEBI NameDasyscyphin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O2
Net Charge0
Average Mass328.496
Monoisotopic Mass328.24023
SMILESCc1ccc2c(c1O)[C@@]1(C)CC[C@H]3[C@@](C)(CO)CCC[C@]3(C)[C@H]1C2
InChIInChI=1S/C22H32O2/c1-14-6-7-15-12-17-21(3)10-5-9-20(2,13-23)16(21)8-11-22(17,4)18(15)19(14)24/h6-7,16-17,23-24H,5,8-13H2,1-4H3/t16-,17+,20+,21-,22-/m0/s1
InChIKeyQLLVZMNPEACNBC-HFQQBTNDSA-N
Species of MetaboliteComponentSourceComments
Dasyscyphus (ncbitaxon:318839) - PubMed (18771321)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Dasyscyphin E (CHEBI:206162) is a fluorenes (CHEBI:24059)
IUPAC Name 
(4S,4aR,6aS,11aR,11bR)-4-(hydroxymethyl)-4,6a,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydrobenzo[a]luoren-7-ol
Manual XrefsDatabases
29304992ChemSpider