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CHEBI:225402 - Moriniafungin B

ChEBI IDCHEBI:225402
ChEBI NameMoriniafungin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H50O12
Net Charge0
Average Mass662.773
Monoisotopic Mass662.33023
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](CCCCCC(=O)O)O2
InChIInChI=1S/C35H50O12/c1-18(2)24-13-21-14-32(16-36)23-12-11-19(3)22(23)15-33(21,34(24,32)31(41)42)17-44-30-27(39)35(28(43-5)20(4)45-30)46-25(29(40)47-35)9-7-6-8-10-26(37)38/h13,16,18-23,25,27-28,30,39H,6-12,14-15,17H2,1-5H3,(H,37,38)(H,41,42)/t19-,20-,21+,22-,23-,25+,27-,28-,30-,32+,33+,34+,35-/m1/s1
InChIKeyQKXOLTOXYCQWLX-PYSOVHISSA-N
Species of MetaboliteComponentSourceComments
Curvularia (ncbitaxon:5502) - PubMed (31478377)
ChEBI Ontology
Outgoing Relation(s)
Moriniafungin B (CHEBI:225402) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1R,2S,4R,5R,8R,9S,11R)-2-[[(2S,5R,6R,7R,9R,10R)-2-(5-carboxypentyl)-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
81360763ChemSpider