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CHEBI:197957 - 1,2-dehydrovirgineone

ChEBI IDCHEBI:197957
ChEBI Name1,2-dehydrovirgineone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H61NO12
Net Charge0
Average Mass747.923
Monoisotopic Mass747.41938
SMILESCC(CCCCCCCCC(=O)CCCCCCCCC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C1=C(O)C(Cc2ccc(O)cc2)=NC1=O
InChIInChI=1S/C40H61NO12/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/h19-22,26,30,32,36-38,40,42,44-45,47-50H,2-18,23-25H2,1H3/t26?,30-,32-,36-,37+,38-,40-/m1/s1
InChIKeyKOMHLFKWLYKZGV-GVNXYXTPSA-N
Species of MetaboliteComponentSourceComments
Clonostachys (ncbitaxon:110564) - PubMed (23806109)
ChEBI Ontology
Outgoing Relation(s)
1,2-dehydrovirgineone (CHEBI:197957) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(21R)-21-hydroxy-1-[4-hydroxy-5-[(4-hydroxyphenyl)methyl]-2-oxopyrrol-3-yl]-2-methyl-22-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosane-1,11-dione
Manual XrefsDatabases
30827954ChemSpider