EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200394 - Dermocanarin 9

ChEBI IDCHEBI:200394
ChEBI NameDermocanarin 9
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H30O11
Net Charge0
Average Mass602.592
Monoisotopic Mass602.17881
SMILESCOc1cc(OC)c2c(c1)C(=O)C1=C(C2=O)c2c(OC)cc3cc4c(c(O)c3c2OC(=O)C[C@](C)(O)C1)C(=O)C[C@](C)(O)C4
InChIInChI=1S/C33H30O11/c1-32(39)10-15-6-14-7-20(42-4)27-26-18(28(36)17-8-16(41-3)9-21(43-5)25(17)30(26)38)11-33(2,40)13-22(35)44-31(27)24(14)29(37)23(15)19(34)12-32/h6-9,37,39-40H,10-13H2,1-5H3/t32-,33-/m1/s1
InChIKeyYWBVDVSJHXXNLK-CZNDPXEESA-N
Species of MetaboliteComponentSourceComments
Cortinarius (ncbitaxon:34451) - DOI (10.1071/ch99076)
ChEBI Ontology
Outgoing Relation(s)
Dermocanarin 9 (CHEBI:200394) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(13R,23R)-13,19,23-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.02,11.04,9.018,27.020,25]nonacosa-1(17),2(11),4(9),5,7,18,20(25),26,28-nonaene-3,10,15,21-tetrone
Manual XrefsDatabases
78440077ChemSpider