CHEBI:213550 - Cryptostictic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cryptostictic acid
ChEBI ID CHEBI:213550
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H16O9
Net Charge 0
Average Mass 388.328
Monoisotopic Mass 388.07943
InChI InChI=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
InChIKey RXSMOJAAXFOGKM-IBGZPJMESA-N
SMILES O=C1OC2=C(C3=C(C(=O)O[C@@H]3O)C(=C2C)O)OC4=C1C(=CC(=C4CO)OC)C
Metabolite of Species Details
Lobaria oregana (NCBI:txid63753) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
34964700 ChemSpider
View more database links