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CHEBI:209673 - Rhodatin

ChEBI IDCHEBI:209673
ChEBI NameRhodatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O6
Net Charge0
Average Mass398.455
Monoisotopic Mass398.17294
SMILESCC1=C(O)C(=O)[C@]23[C@H](C)CC[C@H]2[C@@H](C)CO[C@]32Oc3cc(O)cc(CO)c3C=C12
InChIInChI=1S/C23H26O6/c1-11-10-28-23-18(8-16-14(9-24)6-15(25)7-19(16)29-23)13(3)20(26)21(27)22(23)12(2)4-5-17(11)22/h6-8,11-12,17,24-26H,4-5,9-10H2,1-3H3/t11-,12+,17-,22-,23+/m0/s1
InChIKeyPCFXNYBHUVSXEK-ZABCOECVSA-N
Species of MetaboliteComponentSourceComments
Rhodotus palmatus (ncbitaxon:71920) - PubMed (31008606)
ChEBI Ontology
Outgoing Relation(s)
Rhodatin (CHEBI:209673) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1R,4R,5S,8R,9S)-11,18-dihydroxy-16-(hydroxymethyl)-4,8,12-trimethyl-2,21-dioxapentacyclo[11.8.0.01,9.05,9.015,20]henicosa-11,13,15,17,19-pentaen-10-one