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CHEBI:217114 - Sancti A

ChEBI IDCHEBI:217114
ChEBI NameSancti A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O6
Net Charge0
Average Mass356.374
Monoisotopic Mass356.12599
SMILESCOC(=O)c1c(C)cc2c(c1O)[C@@H]1C[C@@](C)(Oc3cc(C)cc(O)c31)O2
InChIInChI=1S/C20H20O6/c1-9-5-12(21)16-11-8-20(3,25-13(16)6-9)26-14-7-10(2)15(19(23)24-4)18(22)17(11)14/h5-7,11,21-22H,8H2,1-4H3/t11-,20+/m1/s1
InChIKeyQRRFVWSMCLVXCW-GIPWTMENSA-N
Species of MetaboliteComponentSourceComments
Parmotrema sancti-angelii (ncbitaxon:1874036) - DOI (10.1002/ejoc.201800202)
ChEBI Ontology
Outgoing Relation(s)
Sancti A (CHEBI:217114) is a benzenes (CHEBI:22712)
Sancti A (CHEBI:217114) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
methyl (1R,9S)-3,15-dihydroxy-5,9,13-trimethyl-8,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene-4-carboxylate