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CHEBI:222888 - Dongtingnoid E

ChEBI IDCHEBI:222888
ChEBI NameDongtingnoid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O8
Net Charge0
Average Mass508.652
Monoisotopic Mass508.30362
SMILESCOCC1=CC[C@@H]2/C1=C\[C@@]1(C)CCC(C(C)C)=C1[C@@H](O[C@H]1O[C@H](COC)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H]2C
InChIInChI=1S/C28H44O8/c1-14(2)17-9-10-28(4)11-19-16(12-33-5)7-8-18(19)15(3)22(29)26(21(17)28)36-27-25(32)24(31)23(30)20(35-27)13-34-6/h7,11,14-15,18,20,22-27,29-32H,8-10,12-13H2,1-6H3/b19-11-/t15-,18+,20-,22-,23-,24+,25-,26-,27-,28-/m1/s1
InChIKeyXGYRSJSEHYTCNX-TZAKKUHZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30632752)
ChEBI Ontology
Outgoing Relation(s)
Dongtingnoid E (CHEBI:222888) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2S,3R,4S,5S,6R)-2-[[(1E,3R,8R,9R,10R,11S)-9-hydroxy-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-8-tricyclo[9.3.0.03,7]tetradeca-1,6,13-trienyl]oxy]-6-(methoxymethyl)oxane-3,4,5-triol