CHEBI:219452 - Dermocanarin 2

ChEBI IDCHEBI:219452
ChEBI NameDermocanarin 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H26O11
Net Charge0
Average Mass598.560
Monoisotopic Mass598.14751
SMILESCOc1cc(OC)c2c(c1)C(=O)C1=C(C2=O)c2c(OC)cc3c(c2OC(=O)C[C@](C)(O)C1)C(=O)c1c(O)cc(C)cc1C3=O
InChIInChI=1S/C33H26O11/c1-13-6-15-23(19(34)7-13)30(38)26-17(28(15)36)10-21(43-5)27-25-18(11-33(2,40)12-22(35)44-32(26)27)29(37)16-8-14(41-3)9-20(42-4)24(16)31(25)39/h6-10,34,40H,11-12H2,1-5H3/t33-/m1/s1
InChIKeyWRCORLXOLDLDOJ-MGBGTMOVSA-N
Species of MetaboliteComponentSourceComments
Cortinarius canarius (ncbitaxon:309013) - DOI (10.1039/p19950000645)
ChEBI Ontology
Outgoing Relation(s)
Dermocanarin 2 (CHEBI:219452) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(13R)-13,21-dihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.02,11.04,9.018,27.020,25]nonacosa-1(29),2(11),4(9),5,7,17,20(25),21,23,27-decaene-3,10,15,19,26-pentone