EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207373 - (-)-dalmanol A

ChEBI IDCHEBI:207373
ChEBI Name(-)-dalmanol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H14O6
Net Charge0
Average Mass350.326
Monoisotopic Mass350.07904
SMILESC[C@@H]1c2c(O)cc(=O)c3c(O)cc4oc5cccc(O)c5c(c4c23)[C@H]1O
InChIInChI=1S/C20H14O6/c1-7-14-9(22)5-10(23)15-11(24)6-13-17(18(14)15)19(20(7)25)16-8(21)3-2-4-12(16)26-13/h2-7,20-22,24-25H,1H3/t7-,20+/m1/s1
InChIKeyIVFSUOIKFPXNAJ-GLEHDBDLSA-N
Species of MetaboliteComponentSourceComments
Daldinia eschscholtzii (ncbitaxon:292717) - PubMed (21434637)
ChEBI Ontology
Outgoing Relation(s)
(-)-dalmanol A (CHEBI:207373) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
(17R,18S)-3,11,15,18-tetrahydroxy-17-methyl-8-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,14,16(20)-octaen-13-one
Manual XrefsDatabases
78440458ChemSpider