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CHEBI:222874 - Dongtingnoid B

ChEBI IDCHEBI:222874
ChEBI NameDongtingnoid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O9
Net Charge0
Average Mass540.694
Monoisotopic Mass540.32983
SMILESCOC[C@H]1O[C@H](O[C@@H]2C3=C(C(C)C)CC[C@]3(C)/C=C3\[C@@H](CC[C@]3(COC)OC)[C@@H](C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C29H48O9/c1-15(2)17-8-10-28(4)12-19-18(9-11-29(19,36-7)14-35-6)16(3)22(30)26(21(17)28)38-27-25(33)24(32)23(31)20(37-27)13-34-5/h12,15-16,18,20,22-27,30-33H,8-11,13-14H2,1-7H3/b19-12+/t16-,18+,20-,22-,23-,24+,25-,26-,27-,28-,29-/m1/s1
InChIKeyULJZFXCFIJSTRL-RSRJVGMYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30632752)
ChEBI Ontology
Outgoing Relation(s)
Dongtingnoid B (CHEBI:222874) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2S,3R,4S,5S,6R)-2-[[(1E,3R,8R,9R,10R,11S,14S)-9-hydroxy-14-methoxy-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-8-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]oxy]-6-(methoxymethyl)oxane-3,4,5-triol