EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206353 - Spiroapplanatumine P

ChEBI IDCHEBI:206353
ChEBI NameSpiroapplanatumine P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O6
Net Charge0
Average Mass320.341
Monoisotopic Mass320.12599
SMILESCOC(=O)[C@H]1CC[C@H]([C@H](C)CO)[C@@]12Oc1ccc(O)cc1C2=O
InChIInChI=1S/C17H20O6/c1-9(8-18)12-4-5-13(16(21)22-2)17(12)15(20)11-7-10(19)3-6-14(11)23-17/h3,6-7,9,12-13,18-19H,4-5,8H2,1-2H3/t9-,12-,13-,17-/m1/s1
InChIKeyCJKHTLRUBMTPPH-DMEFTLKTSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - PubMed (27996259)
ChEBI Ontology
Outgoing Relation(s)
Spiroapplanatumine P (CHEBI:206353) is a benzofurans (CHEBI:35259)
IUPAC Name 
methyl (1'S,2R,3'R)-5-hydroxy-3'-[(2S)-1-hydroxypropan-2-yl]-3-oxospiro[1-benzouran-2,2'-cyclopentane]-1'-carboxylate
Manual XrefsDatabases
78441630ChemSpider