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CHEBI:209485 - Neosordarin

ChEBI IDCHEBI:209485
ChEBI NameNeosordarin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H50O11
Net Charge0
Average Mass658.785
Monoisotopic Mass658.33531
SMILESCO[C@H]1[C@@H](OC(=O)/C(C)=C\C(=O)/C=C/C(C)O)[C@H](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)O[C@@H]1C
InChIInChI=1S/C36H50O11/c1-18(2)27-13-23-14-34(16-37)26-11-8-19(3)25(26)15-35(23,36(27,34)33(42)43)17-45-32-28(40)30(29(44-7)22(6)46-32)47-31(41)20(4)12-24(39)10-9-21(5)38/h9-10,12-13,16,18-19,21-23,25-26,28-30,32,38,40H,8,11,14-15,17H2,1-7H3,(H,42,43)/b10-9+,20-12-/t19-,21?,22-,23+,25-,26-,28+,29-,30+,32-,34+,35+,36+/m1/s1
InChIKeyZYLVYEPSNXRLDN-ZPRCZARESA-N
Species of MetaboliteComponentSourceComments
Sordaria araneosa (ncbitaxon:573841) - PubMed (12061545)
ChEBI Ontology
Outgoing Relation(s)
Neosordarin (CHEBI:209485) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(1R,2S,4R,5R,8R,9S,11R)-9-ormyl-2-[[(2R,3S,4S,5R,6R)-3-hydroxy-4-[(2Z,5E)-7-hydroxy-2-methyl-4-oxoocta-2,5-dienoyl]oxy-5-methoxy-6-methyloxan-2-yl]oxymethyl]-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
Manual XrefsDatabases
78437935ChemSpider