CHEBI:172719 - Myricatomentoside I

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 Myricatomentoside I
ChEBI ID CHEBI:172719
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H32O10
Net Charge 0
Average Mass 504.532
Monoisotopic Mass 504.19955
InChI InChI=1S/C26H32O10/c1-33-25-18-11-8-15(24(25)36-26-23(32)22(31)21(30)20(13-27)35-26)4-2-3-5-16(28)9-6-14-7-10-17(29)19(12-14)34-18/h7-8,10-12,20-23,26-27,29-32H,2-6,9,13H2,1H3/t20-,21-,22+,23-,26+/m1/s1
InChIKey RALVCBWUWHJOGL-OPMJLWCUSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C3CCCCC(=O)CCC4=CC(OC(=C2OC)C=C3)=C(O)C=C4)CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Myricatomentoside I (CHEBI:172719) is a glycoside (CHEBI:24400)
Myricatomentoside I (CHEBI:172719) is a lignan (CHEBI:25036)
IUPAC Name
4-hydroxy-17-methoxy-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one
Manual Xref Database
8943158 ChemSpider
View more database links