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CHEBI:219843 - FA-2097

ChEBI IDCHEBI:219843
ChEBI NameFA-2097
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22N2O8S2
Net Charge0
Average Mass494.547
Monoisotopic Mass494.08176
SMILESCOc1ccc([C@H]2SS[C@@]34C[C@]56O[C@H]5C=C[C@@H](O)[C@@H]6ON3C(=O)[C@@H]2N(C)C4=O)c(O)c1OC
InChIInChI=1S/C21H22N2O8S2/c1-22-13-16(9-4-6-11(28-2)15(29-3)14(9)25)32-33-21(19(22)27)8-20-12(30-20)7-5-10(24)17(20)31-23(21)18(13)26/h4-7,10,12-13,16-17,24-25H,8H2,1-3H3/t10-,12+,13-,16-,17+,20+,21-/m1/s1
InChIKeyXOFUALCAHMHEHU-KWOIXVLLSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (7076583)
ChEBI Ontology
Outgoing Relation(s)
FA-2097 (CHEBI:219843) is a methoxybenzenes (CHEBI:51683)
FA-2097 (CHEBI:219843) is a phenols (CHEBI:33853)
IUPAC Name 
(1R,3S,5S,8R,9S,13S,14R)-8-hydroxy-14-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-4,10-dioxa-15,16-dithia-11,18-diazapentacyclo[11.3.2.01,11.03,5.03,9]octadec-6-ene-12,17-dione