EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220194 - Dermocanarin I

ChEBI IDCHEBI:220194
ChEBI NameDermocanarin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H28O10
Net Charge0
Average Mass584.577
Monoisotopic Mass584.16825
SMILESCOc1cc(OC)c2c(O)c3c(cc2c1)CC(C)(O)CC(=O)Oc1c2c(cc(OC)c1-3)C(=O)c1cc(C)cc(O)c1C2=O
InChIInChI=1S/C33H28O10/c1-14-6-18-26(20(34)7-14)31(38)27-19(29(18)36)11-22(42-5)28-25-16(12-33(2,39)13-23(35)43-32(27)28)8-15-9-17(40-3)10-21(41-4)24(15)30(25)37/h6-11,34,37,39H,12-13H2,1-5H3
InChIKeyGMHTVISKDLAFHJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cortinarius canarius (ncbitaxon:309013) - DOI (10.1016/s0040-4039(00)97435-5)
ChEBI Ontology
Outgoing Relation(s)
Dermocanarin I (CHEBI:220194) is a anthraquinone (CHEBI:22580)
IUPAC Name 
3,13,21-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.02,11.04,9.018,27.020,25]nonacosa-1(29),2,4,6,8,10,17,20(25),21,23,27-undecaene-15,19,26-trione
Manual XrefsDatabases
78434902ChemSpider