EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202290 - Obuticin

ChEBI IDCHEBI:202290
ChEBI NameObuticin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38O14
Net Charge0
Average Mass646.642
Monoisotopic Mass646.22616
SMILESCC1CC(=O)OC(C)Cc2cc(O)cc(O)c2C(=O)OC(C)Cc2cc(O)cc(O)c2C(=O)OC(C)CC(=O)OC(C)CC(=O)O1
InChIInChI=1S/C32H38O14/c1-15-6-20-11-22(33)13-24(35)29(20)31(40)45-16(2)7-21-12-23(34)14-25(36)30(21)32(41)46-19(5)10-28(39)44-18(4)9-27(38)43-17(3)8-26(37)42-15/h11-19,33-36H,6-10H2,1-5H3
InChIKeyAAWMOJABZCHOIO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (8982351)
ChEBI Ontology
Outgoing Relation(s)
Obuticin (CHEBI:202290) has functional parent hexacarboxylic acid (CHEBI:59359)
Obuticin (CHEBI:202290) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
8,10,30,32-tetrahydroxy-4,14,18,22,26-pentamethyl-3,13,17,21,25-pentaoxatricyclo[26.4.0.06,11]dotriaconta-1(28),6(11),7,9,29,31-hexaene-2,12,16,20,24-pentone
Manual XrefsDatabases
10154351ChemSpider