EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198137 - Virescenoside U

ChEBI IDCHEBI:198137
ChEBI NameVirescenoside U
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O8
Net Charge0
Average Mass478.582
Monoisotopic Mass478.25667
SMILESC=C[C@]1(C)C=C2C(=O)C[C@H]3[C@@](C)(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)C(=O)CC[C@]3(C)C2CC1
InChIInChI=1S/C26H38O8/c1-5-24(2)8-6-15-14(11-24)16(28)10-18-25(15,3)9-7-19(29)26(18,4)13-33-23-22(32)21(31)20(30)17(12-27)34-23/h5,11,15,17-18,20-23,27,30-32H,1,6-10,12-13H2,2-4H3/t15?,17-,18-,20-,21-,22+,23-,24+,25-,26-/m1/s1
InChIKeyPVHZQYVWEOHBBM-GLROQDFTSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (15217294)
ChEBI Ontology
Outgoing Relation(s)
Virescenoside U (CHEBI:198137) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(1S,4aR,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-1-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,4b,5,6,10,10a-hexahydro-3H-phenanthrene-2,9-dione
Manual XrefsDatabases
78439994ChemSpider