CHEBI:188129 - Castamollissin

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 Castamollissin
ChEBI ID CHEBI:188129
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H20O13
Net Charge 0
Average Mass 468.367
Monoisotopic Mass 468.09039
InChI InChI=1S/C20H20O13/c21-5-7-1-9(22)15(26)12(2-7)32-20-18(29)17(28)16(27)13(33-20)6-31-19(30)8-3-10(23)14(25)11(24)4-8/h1-5,13,16-18,20,22-29H,6H2
InChIKey SVCSAQHJACEOFN-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C(O)=C(O)C=C(C2)C=O)COC(=O)C3=CC(O)=C(O)C(O)=C3
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Castamollissin (CHEBI:188129) is a glycoside (CHEBI:24400)
IUPAC Name
[6-(5-ormyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual Xref Database
HMDB0038888 HMDB
View more database links