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CHEBI:222878 - Dongtingnoid C

ChEBI IDCHEBI:222878
ChEBI NameDongtingnoid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O9
Net Charge0
Average Mass496.597
Monoisotopic Mass496.26723
SMILESCOC[C@H]1O[C@H](O[C@@H]2C3=C(C(C)C)CC[C@]3(C)[C@@H](O)C3=C(CCC3=O)[C@@H](C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C26H40O9/c1-11(2)13-8-9-26(4)18(13)23(19(28)12(3)14-6-7-15(27)17(14)24(26)32)35-25-22(31)21(30)20(29)16(34-25)10-33-5/h11-12,16,19-25,28-32H,6-10H2,1-5H3/t12-,16-,19-,20-,21+,22-,23-,24+,25-,26+/m1/s1
InChIKeyTUYMZUKMKZFIIE-CRLQFDCCSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30632752)
ChEBI Ontology
Outgoing Relation(s)
Dongtingnoid C (CHEBI:222878) is a glycoside (CHEBI:24400)
IUPAC Name 
(1S,2R,8R,9R,10R)-2,9-dihydroxy-1,8-dimethyl-12-propan-2-yl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxytricyclo[9.3.0.03,7]tetradeca-3(7),11-dien-4-one