EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201681 - (-)-dalmanol C

ChEBI IDCHEBI:201681
ChEBI Name(-)-dalmanol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O9
Net Charge0
Average Mass530.529
Monoisotopic Mass530.15768
SMILESC[C@@H]1c2c(O)cc(O)c3c2C(=C(c2c(O)cccc2O)[C@H]1[C@@H](C)CC(=O)c1c(O)cccc1O)C(=O)C=C3O
InChIInChI=1S/C30H26O9/c1-12(9-18(35)25-14(31)5-3-6-15(25)32)23-13(2)24-19(36)10-20(37)27-21(38)11-22(39)28(30(24)27)29(23)26-16(33)7-4-8-17(26)34/h3-8,10-13,23,31-34,36-38H,9H2,1-2H3/t12-,13-,23-/m0/s1
InChIKeyLYOHBAPHLJXBJF-XCMOZONUSA-N
Species of MetaboliteComponentSourceComments
Daldinia eschscholzii IFB-TL01 (ncbitaxon:1169046) - PubMed (26363879)
ChEBI Ontology
Outgoing Relation(s)
(-)-dalmanol C (CHEBI:201681) is a benzenes (CHEBI:22712)
(-)-dalmanol C (CHEBI:201681) is a naphthalenes (CHEBI:25477)
(-)-dalmanol C (CHEBI:201681) is a ring assembly (CHEBI:36820)
IUPAC Name 
(7S,8S)-9-(2,6-dihydroxyphenyl)-8-[(2S)-4-(2,6-dihydroxyphenyl)-4-oxobutan-2-yl]-3,4,6-trihydroxy-7-methyl-7,8-dihydrophenalen-1-one
Manual XrefsDatabases
78440867ChemSpider