EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226770 - Tuscoron B

ChEBI IDCHEBI:226770
ChEBI NameTuscoron B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O9
Net Charge0
Average Mass552.705
Monoisotopic Mass552.32983
SMILESCCC1=CC(/C(C)=C/C(C)(O)CCC(OC)C(C)C(O)C(C)C(O)C2OC(C)=CC2=O)OC(C(C)C(=O)O)C1
InChIInChI=1S/C30H48O9/c1-9-21-13-24(39-25(14-21)19(5)29(34)35)16(2)15-30(7,36)11-10-23(37-8)18(4)26(32)20(6)27(33)28-22(31)12-17(3)38-28/h12-13,15,18-20,23-28,32-33,36H,9-11,14H2,1-8H3,(H,34,35)/b16-15+
InChIKeyIEWRNTONLPUAQI-FOCLMDBBSA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - DOI (10.1002/ejoc.200300539)
ChEBI Ontology
Outgoing Relation(s)
Tuscoron B (CHEBI:226770) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
2-[4-ethyl-6-[(E)-4,9,11-trihydroxy-7-methoxy-4,8,10-trimethyl-11-(5-methyl-3-oxouran-2-yl)undec-2-en-2-yl]-3,6-dihydro-2H-pyran-2-yl]propanoic acid
Manual XrefsDatabases
78444838ChemSpider