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CHEBI:213550 - Cryptostictic acid

ChEBI IDCHEBI:213550
ChEBI NameCryptostictic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16O9
Net Charge0
Average Mass388.328
Monoisotopic Mass388.07943
SMILESCOc1cc(C)c2c(c1CO)Oc1c(c(C)c(O)c3c1[C@@H](O)OC3=O)OC2=O
InChIInChI=1S/C19H16O9/c1-6-4-9(25-3)8(5-20)15-10(6)17(22)27-14-7(2)13(21)11-12(16(14)26-15)19(24)28-18(11)23/h4,19-21,24H,5H2,1-3H3/t19-/m0/s1
InChIKeyRXSMOJAAXFOGKM-IBGZPJMESA-N
Species of MetaboliteComponentSourceComments
Lobaria oregana (ncbitaxon:63753) - DOI (10.1016/s0031-9422(00)81987-1)
ChEBI Ontology
Outgoing Relation(s)
Cryptostictic acid (CHEBI:213550) is a aromatic ether (CHEBI:35618)
IUPAC Name 
13,17-dihydroxy-4-(hydroxymethyl)-5-methoxy-7,12-dimethyl-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-9,15-dione
Manual XrefsDatabases
34964700ChemSpider