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CHEBI:211657 - Cyathinin A

ChEBI IDCHEBI:211657
ChEBI NameCyathinin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O7
Net Charge0
Average Mass446.540
Monoisotopic Mass446.23045
SMILESCC(C)C1=C2[C@H]3[C@@H](O)C=C4[C@@H]5O[C@@H]6[C@@]7(O)[C@@H](OC[C@]6(O)O5)O[C@@H]([C@@H]47)[C@]3(C)CC[C@@]2(C)CC1
InChIInChI=1S/C25H34O7/c1-11(2)12-5-6-22(3)7-8-23(4)17(15(12)22)14(26)9-13-16-18(23)30-21-25(16,28)20-24(27,10-29-21)32-19(13)31-20/h9,11,14,16-21,26-28H,5-8,10H2,1-4H3/t14-,16+,17+,18-,19+,20-,21-,22+,23+,24-,25+/m0/s1
InChIKeyMNRQLHQVSXOFJM-OEJWCJKHSA-N
Species of MetaboliteComponentSourceComments
Cyathus (ncbitaxon:68776) - DOI (10.1016/j.tet.2018.10.012)
ChEBI Ontology
Outgoing Relation(s)
Cyathinin A (CHEBI:211657) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,4S,5R,10R,13R,14S,16S,19S,21R,23R,24R)-10,13-dimethyl-7-propan-2-yl-15,17,20,22-tetraoxaheptacyclo[12.10.0.02,21.05,13.06,10.016,24.019,23]tetracosa-2,6-diene-4,19,24-triol