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CHEBI:225415 - Moriniafungin D

ChEBI IDCHEBI:225415
ChEBI NameMoriniafungin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H48O12
Net Charge0
Average Mass648.746
Monoisotopic Mass648.31458
SMILESCOC(=O)CCC[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/C34H48O12/c1-17(2)23-12-20-13-31(15-35)22-11-10-18(3)21(22)14-32(20,33(23,31)30(39)40)16-43-29-26(37)34(27(42-6)19(4)44-29)45-24(28(38)46-34)8-7-9-25(36)41-5/h12,15,17-22,24,26-27,29,37H,7-11,13-14,16H2,1-6H3,(H,39,40)/t18-,19-,20+,21-,22-,24+,26-,27-,29-,31+,32+,33+,34-/m1/s1
InChIKeyXKGRSIKVWMUHED-XVISKKNSSA-N
Species of MetaboliteComponentSourceComments
Curvularia (ncbitaxon:5502) - PubMed (31478377)
ChEBI Ontology
Outgoing Relation(s)
Moriniafungin D (CHEBI:225415) 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-(4-methoxy-4-oxobutyl)-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
81360765ChemSpider