EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227096 - Gymnopilin B11

ChEBI IDCHEBI:227096
ChEBI NameGymnopilin B11
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H116O15
Net Charge0
Average Mass1089.584
Monoisotopic Mass1088.83142
SMILESCC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CCC(C)(O)[C@H](O)COC(=O)CC(C)(O)CC(=O)O
InChIInChI=1S/C61H116O15/c1-47(2)24-14-27-52(4,66)29-17-31-54(6,68)33-19-35-56(8,70)37-21-39-58(10,72)41-23-42-59(11,73)40-22-38-57(9,71)36-20-34-55(7,69)32-18-30-53(5,67)28-15-25-48(3)26-16-43-61(13,75)49(62)46-76-51(65)45-60(12,74)44-50(63)64/h24,26,49,62,66-75H,14-23,25,27-46H2,1-13H3,(H,63,64)/b48-26+/t49-,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?/m1/s1
InChIKeyWOOCTTCDOVEELB-WGCLMTPMSA-N
Species of MetaboliteComponentSourceComments
Gymnopilusspeciesctabilis (ncbitaxon:171613) - DOI (10.1016/s0040-4039(00)81824-9)
ChEBI Ontology
Outgoing Relation(s)
Gymnopilin B11 (CHEBI:227096) is a polyterpenoid (CHEBI:26207)
IUPAC Name 
5-[(2R,6E)-2,3,11,15,19,23,27,31,35,39-decahydroxy-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-6,42-dienoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
Manual XrefsDatabases
78445324ChemSpider