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CHEBI:225407 - Moriniafungin C

ChEBI IDCHEBI:225407
ChEBI NameMoriniafungin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H46O12
Net Charge0
Average Mass634.719
Monoisotopic Mass634.29893
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](CCCC(=O)O)O2
InChIInChI=1S/C33H46O12/c1-16(2)22-11-19-12-30(14-34)21-10-9-17(3)20(21)13-31(19,32(22,30)29(39)40)15-42-28-25(37)33(26(41-5)18(4)43-28)44-23(27(38)45-33)7-6-8-24(35)36/h11,14,16-21,23,25-26,28,37H,6-10,12-13,15H2,1-5H3,(H,35,36)(H,39,40)/t17-,18-,19+,20-,21-,23+,25-,26-,28-,30+,31+,32+,33-/m1/s1
InChIKeyJBXRTZFEVOCOPB-RLMTYQQZSA-N
Species of MetaboliteComponentSourceComments
Curvularia (ncbitaxon:5502) - PubMed (31478377)
ChEBI Ontology
Outgoing Relation(s)
Moriniafungin C (CHEBI:225407) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1R,2S,4R,5R,8R,9S,11R)-2-[[(2S,5R,6R,7R,9R,10R)-2-(3-carboxypropyl)-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
81360764ChemSpider