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CHEBI:212318 - Virgineone

ChEBI IDCHEBI:212318
ChEBI NameVirgineone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC40H63NO12
Net Charge0
Average Mass749.939
Monoisotopic Mass749.43503
SMILESCC(CCCCCCCCC(=O)CCCCCCCCCC(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(O)=C1C(=O)NC(Cc2ccc(O)cc2)C1=O
InChIInChI=1S/C40H63NO12/c1-26(34(46)33-35(47)31(41-39(33)51)23-27-19-21-29(44)22-20-27)15-11-7-5-6-9-13-17-28(43)16-12-8-3-2-4-10-14-18-30(45)25-52-40-38(50)37(49)36(48)32(24-42)53-40/h19-22,26,30-32,36-38,40,42,44-46,48-50H,2-18,23-25H2,1H3,(H,41,51)/t26?,30?,31?,32-,36-,37+,38+,40-/m1/s1
InChIKeyWYXNNILAWDOXOQ-SJCLYCDYSA-N
Species of MetaboliteComponentSourceComments
Lachnum virgineum (ncbitaxon:47828) - PubMed (19115836)
ChEBI Ontology
Outgoing Relation(s)
Virgineone (CHEBI:212318) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3-[1,21-dihydroxy-2-methyl-11-oxo-22-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosylidene]-5-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
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