EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201729 - Moriniafungin

ChEBI IDCHEBI:201729
ChEBI NameMoriniafungin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H54O12
Net Charge0
Average Mass690.827
Monoisotopic Mass690.36153
SMILESCO[C@@H]1[C@@H](C)O[C@@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]34C(=O)O)[C@@H](O)[C@@]12OC(=O)[C@H](CCCCCCCC(=O)O)O2
InChIInChI=1S/C37H54O12/c1-20(2)26-15-23-16-34(18-38)25-14-13-21(3)24(25)17-35(23,36(26,34)33(43)44)19-46-32-29(41)37(30(45-5)22(4)47-32)48-27(31(42)49-37)11-9-7-6-8-10-12-28(39)40/h15,18,20-25,27,29-30,32,41H,6-14,16-17,19H2,1-5H3,(H,39,40)(H,43,44)/t21-,22-,23+,24-,25-,27+,29-,30-,32-,34+,35+,36+,37-/m1/s1
InChIKeyUDEBDAZBOLNLCQ-FTMOPRGTSA-N
Species of MetaboliteComponentSourceComments
Morinia pestalozzioides (ncbitaxon:323524) - PubMed (16183294)
ChEBI Ontology
Outgoing Relation(s)
Moriniafungin (CHEBI:201729) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1R,2S,4R,5R,8R,9S,11R)-2-[[(2S,5R,6R,7R,9R,10R)-2-(7-carboxyheptyl)-10-hydroxy-6-methoxy-7-methyl-3-oxo-1,4,8-trioxaspiro[4.5]decan-9-yl]oxymethyl]-9-ormyl-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
Manual XrefsDatabases
25059161ChemSpider
MOUPDBeChem