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CHEBI:217121 - Sancti B

ChEBI IDCHEBI:217121
ChEBI NameSancti B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O6
Net Charge0
Average Mass356.374
Monoisotopic Mass356.12599
SMILESCOC(=O)c1c(C)cc2c(c1O)[C@@H]1C[C@@](C)(Oc3cc(O)cc(C)c31)O2
InChIInChI=1S/C20H20O6/c1-9-5-11(21)7-14-15(9)12-8-20(3,26-14)25-13-6-10(2)16(19(23)24-4)18(22)17(12)13/h5-7,12,21-22H,8H2,1-4H3/t12-,20-/m1/s1
InChIKeySNCNVODHPSVHRO-MPBGBICISA-N
Species of MetaboliteComponentSourceComments
Parmotrema sancti-angelii (ncbitaxon:1874036) - DOI (10.1002/ejoc.201800202)
ChEBI Ontology
Outgoing Relation(s)
Sancti B (CHEBI:217121) is a benzenes (CHEBI:22712)
Sancti B (CHEBI:217121) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
methyl (1R,9S)-3,13-dihydroxy-5,9,15-trimethyl-8,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11(16),12,14-hexaene-4-carboxylate