EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209459 - Daldinolide B

ChEBI IDCHEBI:209459
ChEBI NameDaldinolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O7
Net Charge0
Average Mass332.308
Monoisotopic Mass332.08960
SMILESCOc1cc(C)cc([C@@]2(O)OC(=O)c3c(OC)cc(O)cc32)c1O
InChIInChI=1S/C17H16O7/c1-8-4-11(15(19)13(5-8)23-3)17(21)10-6-9(18)7-12(22-2)14(10)16(20)24-17/h4-7,18-19,21H,1-3H3/t17-/m0/s1
InChIKeyYLHIFGSGYCPHEH-KRWDZBQOSA-N
Species of MetaboliteComponentSourceComments
Daldinia concentrica (ncbitaxon:42361) - PubMed (29715021)
ChEBI Ontology
Outgoing Relation(s)
Daldinolide B (CHEBI:209459) is a benzofurans (CHEBI:35259)
IUPAC Name 
3,5-dihydroxy-3-(2-hydroxy-3-methoxy-5-methylphenyl)-7-methoxy-2-benzouran-1-one
Manual XrefsDatabases
78435240ChemSpider