EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211674 - Cyathinin D

ChEBI IDCHEBI:211674
ChEBI NameCyathinin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O8
Net Charge0
Average Mass478.582
Monoisotopic Mass478.25667
SMILESCO[C@H]1C2=CO[C@@]3(O)[C@H](O)CO[C@H]4O[C@@H]([C@@H]2[C@]43O)[C@]2(C)CC[C@@]3(C)CCC(C(C)C)=C3[C@H]2[C@H]1O
InChIInChI=1S/C26H38O8/c1-12(2)13-6-7-23(3)8-9-24(4)18(16(13)23)19(28)20(31-5)14-10-33-26(30)15(27)11-32-22-25(26,29)17(14)21(24)34-22/h10,12,15,17-22,27-30H,6-9,11H2,1-5H3/t15-,17-,18+,19-,20+,21+,22+,23-,24-,25+,26+/m1/s1
InChIKeyAJLJAVRFWUUVNX-SDJLEFBYSA-N
Species of MetaboliteComponentSourceComments
Cyathus (ncbitaxon:68776) - DOI (10.1016/j.tet.2018.10.012)
ChEBI Ontology
Outgoing Relation(s)
Cyathinin D (CHEBI:211674) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2R,5R,10R,11R,12S,16S,17R,20S,21S,22R)-12-methoxy-2,5-dimethyl-8-propan-2-yl-15,19,23-trioxahexacyclo[18.2.1.02,10.05,9.013,22.016,21]tricosa-8,13-diene-11,16,17,21-tetrol
Manual XrefsDatabases
78439209ChemSpider