CHEBI:166497 - Pteroside B

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 Pteroside B
ChEBI ID CHEBI:166497
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O7
Net Charge 0
Average Mass 380.437
Monoisotopic Mass 380.18350
InChI InChI=1S/C20H28O7/c1-9-6-12-7-10(2)16(22)15(12)11(3)13(9)4-5-26-20-19(25)18(24)17(23)14(8-21)27-20/h6,10,14,17-21,23-25H,4-5,7-8H2,1-3H3/t10-,14-,17-,18+,19-,20-/m1/s1
InChIKey UQYNGSPDPASNLN-BLAIOOKWSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCCC2=C(C3=C(C[C@H](C3=O)C)C=C2C)C)CO
ChEBI Ontology
Outgoing Pteroside B (CHEBI:166497) is a glycoside (CHEBI:24400)
IUPAC Name
(2R)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one
Manual Xref Database
118372 ChemSpider
View more database links
Registry Number Type Source
29774-74-1 CAS Registry Number ChemIDplus