EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200779 - (+)-daeschol A

ChEBI IDCHEBI:200779
ChEBI Name(+)-daeschol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H18O7
Net Charge0
Average Mass490.467
Monoisotopic Mass490.10525
SMILESO=C1C[C@H]2[C@H]3C(=O)c4c(O)cccc4[C@@]4(C3=O)c3ccc(O)c5c(O)ccc(c35)[C@]24c2cccc(O)c21
InChIInChI=1S/C30H18O7/c31-17-5-1-3-12-23(17)21(35)11-16-25-27(36)24-13(4-2-6-18(24)32)30(28(25)37)15-8-10-20(34)26-19(33)9-7-14(22(15)26)29(12,16)30/h1-10,16,25,31-34H,11H2/t16-,25-,29+,30-/m0/s1
InChIKeyHDLPRNWPQXNMHN-FFWDYWKCSA-N
Species of MetaboliteComponentSourceComments
Daldinia eschscholtzii (ncbitaxon:292717) - PubMed (21434637)
ChEBI Ontology
Outgoing Relation(s)
(+)-daeschol A (CHEBI:200779) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(1S,11S,20S,21R)-5,7,16,24-tetrahydroxyoctacyclo[19.7.1.12,6.01,11.011,20.012,17.023,28.010,30]triaconta-2,4,6,8,10(30),12(17),13,15,23(28),24,26-undecaene-18,22,29-trione
Manual XrefsDatabases
78440089ChemSpider