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CHEBI:222884 - Dongtingnoid D

ChEBI IDCHEBI:222884
ChEBI NameDongtingnoid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O9
Net Charge0
Average Mass526.667
Monoisotopic Mass526.31418
SMILESCOCC1=C2[C@@H](CC1)[C@@H](C)[C@@H](O)[C@H](O[C@H]1O[C@H](COC)[C@@H](O)[C@H](O)[C@H]1O)C1=C(C(C)C)CC[C@]1(C)[C@H]2O
InChIInChI=1S/C28H46O9/c1-13(2)16-9-10-28(4)20(16)25(37-27-24(32)23(31)22(30)18(36-27)12-35-6)21(29)14(3)17-8-7-15(11-34-5)19(17)26(28)33/h13-14,17-18,21-27,29-33H,7-12H2,1-6H3/t14-,17+,18-,21-,22-,23+,24-,25-,26+,27-,28+/m1/s1
InChIKeyIFZSAVVYAUWXGW-GVYDISOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30632752)
ChEBI Ontology
Outgoing Relation(s)
Dongtingnoid D (CHEBI:222884) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4S,5S,6R)-2-[[(2R,3S,8R,9R,10R,11S)-2,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-8-tricyclo[9.3.0.03,7]tetradeca-1(14),6-dienyl]oxy]-6-(methoxymethyl)oxane-3,4,5-triol