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CHEBI:211685 - Cyathinin E

ChEBI IDCHEBI:211685
ChEBI NameCyathinin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O7
Net Charge0
Average Mass444.524
Monoisotopic Mass444.21480
SMILESCC(C)C1=C2[C@H]3[C@@H](O)C=C4C(=O)O[C@H]5C(=O)CO[C@H]6O[C@@H]([C@@H]4[C@]65O)[C@]3(C)CC[C@@]2(C)CC1
InChIInChI=1S/C25H32O7/c1-11(2)12-5-6-23(3)7-8-24(4)18(16(12)23)14(26)9-13-17-20(24)32-22-25(17,29)19(31-21(13)28)15(27)10-30-22/h9,11,14,17-20,22,26,29H,5-8,10H2,1-4H3/t14-,17+,18+,19-,20-,22-,23+,24+,25+/m0/s1
InChIKeyRONRZGSTLXBTCD-YFNOMCHESA-N
Species of MetaboliteComponentSourceComments
Cyathus (ncbitaxon:68776) - DOI (10.1016/j.tet.2018.10.012)
ChEBI Ontology
Outgoing Relation(s)
Cyathinin E (CHEBI:211685) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(1S,2R,5R,10R,11S,16R,20S,21R,22R)-11,21-dihydroxy-2,5-dimethyl-8-propan-2-yl-15,19,23-trioxahexacyclo[18.2.1.02,10.05,9.013,22.016,21]tricosa-8,12-diene-14,17-dione
Manual XrefsDatabases
78439211ChemSpider