CHEBI:166629 - Jaceidin 7-neohesperidoside

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 Jaceidin 7-neohesperidoside
ChEBI ID CHEBI:166629
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H36O17
Net Charge 0
Average Mass 668.601
Monoisotopic Mass 668.19525
InChI InChI=1S/C30H36O17/c1-10-18(33)22(37)24(39)29(43-10)47-28-23(38)19(34)16(9-31)46-30(28)45-15-8-14-17(20(35)26(15)41-3)21(36)27(42-4)25(44-14)11-5-6-12(32)13(7-11)40-2/h5-8,10,16,18-19,22-24,28-35,37-39H,9H2,1-4H3/t10?,16?,18-,19+,22-,23-,24?,28?,29-,30+/m0/s1
InChIKey HZEWHESQZMJCAC-YZMAUXSESA-N
SMILES O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(OC)C(O)=C3C(OC(=C(OC)C3=O)C4=CC(OC)=C(O)C=C4)=C2)CO)[C@@H]5OC([C@H](O)[C@H](O)C5O)C
ChEBI Ontology
Outgoing Jaceidin 7-neohesperidoside (CHEBI:166629) is a flavonoids (CHEBI:72544)
Jaceidin 7-neohesperidoside (CHEBI:166629) is a glycoside (CHEBI:24400)
IUPAC Name
7-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one
Manual Xrefs Databases
24845529 ChemSpider
LMPK12112932 LIPID MAPS
View more database links