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CHEBI:206321 - Spiroapplanatumine J

ChEBI IDCHEBI:206321
ChEBI NameSpiroapplanatumine J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O7
Net Charge0
Average Mass334.324
Monoisotopic Mass334.10525
SMILESCOC(=O)[C@H]1CCC[C@@H](C(=O)O)[C@]2(C1)Oc1ccc(O)cc1C2=O
InChIInChI=1S/C17H18O7/c1-23-16(22)9-3-2-4-12(15(20)21)17(8-9)14(19)11-7-10(18)5-6-13(11)24-17/h5-7,9,12,18H,2-4,8H2,1H3,(H,20,21)/t9-,12-,17-/m0/s1
InChIKeyMOFVVGMVATZKJM-OVSFNBESSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - PubMed (27996259)
ChEBI Ontology
Outgoing Relation(s)
Spiroapplanatumine J (CHEBI:206321) is a benzofurans (CHEBI:35259)
IUPAC Name 
(1'R,2S,4'S)-5-hydroxy-4'-methoxycarbonyl-3-oxospiro[1-benzouran-2,2'-cycloheptane]-1'-carboxylic acid
Manual XrefsDatabases
78441624ChemSpider