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CHEBI:211662 - Cyathinin B

ChEBI IDCHEBI:211662
ChEBI NameCyathinin B
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]6CO[C@H]7O[C@@H]([C@@H]4[C@@]7(O)[C@@]6(O)O5)[C@]3(C)CC[C@@]2(C)CC1
InChIInChI=1S/C25H34O7/c1-11(2)12-5-6-22(3)7-8-23(4)18(16(12)22)14(26)9-13-17-19(23)31-21-24(17,27)25(28)15(10-29-21)30-20(13)32-25/h9,11,14-15,17-21,26-28H,5-8,10H2,1-4H3/t14-,15-,17+,18+,19-,20-,21-,22+,23+,24-,25-/m0/s1
InChIKeyPFEUDVXDBIGBBP-GNVVFRSTSA-N
Species of MetaboliteComponentSourceComments
Cyathus (ncbitaxon:68776) - DOI (10.1016/j.tet.2018.10.012)
ChEBI Ontology
Outgoing Relation(s)
Cyathinin B (CHEBI:211662) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,4S,5R,10R,13R,14S,16S,19S,21S,23S,24S)-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-4,23,24-triol