CHEBI:186794 - Haploside F

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 Haploside F
ChEBI ID CHEBI:186794
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H32O17
Net Charge 0
Average Mass 640.547
Monoisotopic Mass 640.16395
InChI InChI=1S/C28H32O17/c1-8-16(32)20(36)23(39)27(41-8)45-26-21(37)17(33)14(7-29)43-28(26)42-13-6-11(31)15-19(35)22(38)24(44-25(15)18(13)34)9-3-4-10(30)12(5-9)40-2/h3-6,8,14,16-17,20-21,23,26-34,36-39H,7H2,1-2H3/t8?,14?,16-,17+,20-,21-,23?,26?,27-,28+/m0/s1
InChIKey BMSUUXFONFVKHS-OMOKJNLVSA-N
SMILES O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(O)C=3OC(=C(O)C(=O)C3C(O)=C2)C4=CC(OC)=C(O)C=C4)CO)[C@@H]5OC([C@H](O)[C@H](O)C5O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Haploside F (CHEBI:186794) is a flavonoids (CHEBI:72544)
Haploside F (CHEBI:186794) 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-3,5,8-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Manual Xrefs Databases
24845737 ChemSpider
LMPK12113206 LIPID MAPS
View more database links