EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225421 - Moriniafungin E

ChEBI IDCHEBI:225421
ChEBI NameMoriniafungin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H56O12
Net Charge0
Average Mass704.854
Monoisotopic Mass704.37718
SMILESCOC(=O)CCCCCCC[C@@H]1O[C@@]2(OC1=O)[C@H](O)[C@H](OC[C@@]13C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]1C=C(C(C)C)[C@@]34C(=O)O)O[C@H](C)[C@H]2OC
InChIInChI=1S/C38H56O12/c1-21(2)27-16-24-17-35(19-39)26-15-14-22(3)25(26)18-36(24,37(27,35)34(43)44)20-47-33-30(41)38(31(46-6)23(4)48-33)49-28(32(42)50-38)12-10-8-7-9-11-13-29(40)45-5/h16,19,21-26,28,30-31,33,41H,7-15,17-18,20H2,1-6H3,(H,43,44)/t22-,23-,24+,25-,26-,28+,30-,31-,33-,35+,36+,37+,38-/m1/s1
InChIKeyBKDSMLUZRZVIPA-FKSAUBAMSA-N
Species of MetaboliteComponentSourceComments
Curvularia (ncbitaxon:5502) - PubMed (31478377)
ChEBI Ontology
Outgoing Relation(s)
Moriniafungin E (CHEBI:225421) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1R,2S,4R,5R,8R,9S,11R)-9-ormyl-2-[[(2S,5R,6R,7R,9R,10R)-10-hydroxy-6-methoxy-2-(8-methoxy-8-oxooctyl)-7-methyl-3-oxo-1,4,8-trioxaspiro[4.5]decan-9-yl]oxymethyl]-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
Manual XrefsDatabases
81360766ChemSpider