EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209332 - Rugulotrosin B

ChEBI IDCHEBI:209332
ChEBI NameRugulotrosin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O14
Net Charge0
Average Mass638.578
Monoisotopic Mass638.16356
SMILESCOC(=O)[C@@]12Oc3cc(C)c(-c4c(C)cc(O)c5c4O[C@]4(C(=O)OC)C(=C5O)C(=O)CC[C@H]4O)c(O)c3C(O)=C1C(=O)CC[C@H]2O
InChIInChI=1S/C32H30O14/c1-11-9-15(35)21-26(39)23-13(33)6-8-18(37)32(23,30(42)44-4)46-28(21)20(11)19-12(2)10-16-22(25(19)38)27(40)24-14(34)5-7-17(36)31(24,45-16)29(41)43-3/h9-10,17-18,35-40H,5-8H2,1-4H3/t17-,18-,31+,32+/m1/s1
InChIKeyZXYUFJPVTZIRBI-OBXOASMOSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (15104517)
ChEBI Ontology
Outgoing Relation(s)
Rugulotrosin B (CHEBI:209332) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (4R,4aR)-7-[(5R,10aR)-1,5,9-trihydroxy-10a-methoxycarbonyl-3-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate
Manual XrefsDatabases
78440350ChemSpider