EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222679 - Cytoskyrin B

ChEBI IDCHEBI:222679
ChEBI NameCytoskyrin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H22O12
Net Charge0
Average Mass574.494
Monoisotopic Mass574.11113
SMILESCOc1cc(O)c2c(c1)C(=O)C13C(C2=O)C(=O)C2[C@H](O)C1C1[C@H](O)C3C(=O)C3=C(O)c4c(O)cc(OC)cc4C(=O)C321
InChIInChI=1S/C30H22O12/c1-41-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(42-2)6-12(14)32/h3-6,15-17,19-20,23-24,31-32,34-36H,1-2H3/t15?,16?,17?,19?,20?,23-,24+,29?,30?/m1/s1
InChIKeySQMILYRPJCVQSQ-YKQFLFOBSA-N
Species of MetaboliteComponentSourceComments
Cytosporaspecies (ncbitaxon:1715226) - PubMed (11112640)
ChEBI Ontology
Outgoing Relation(s)
Cytoskyrin B (CHEBI:222679) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(14R,28S)-8,14,23,25,28-pentahydroxy-6,21-dimethoxyoctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4(9),5,7,19(24),20,22,25-heptaene-3,10,12,18,27-pentone