EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:186319 - Amorphigenin O-vicianoside

Default Structure
ChEBI IDCHEBI:186319
ChEBI NameAmorphigenin O-vicianoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H40O16
Net Charge0
Average Mass704.678
Monoisotopic Mass704.23164
SMILESC=C(CO[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1
InChIInChI=1S/C34H40O16/c1-13(9-45-34-31(41)29(39)28(38)24(50-34)12-47-33-30(40)27(37)17(35)10-46-33)19-7-16-18(48-19)5-4-14-26(36)25-15-6-21(42-2)22(43-3)8-20(15)44-11-23(25)49-32(14)16/h4-6,8,17,19,23-25,27-31,33-35,37-41H,1,7,9-12H2,2-3H3/t17-,19?,23?,24+,25?,27-,28+,29-,30+,31+,33-,34+/m0/s1
InChIKeyCMQOKNQYLSMKJC-SQVUTHPVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Amorphigenin O-vicianoside (CHEBI:186319) is a glycoside (CHEBI:24400)
Amorphigenin O-vicianoside (CHEBI:186319) is a rotenoid (CHEBI:71543)
IUPAC Name 
16,17-dimethoxy-6-[3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyprop-1-en-2-yl]-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
Manual XrefsDatabases
24842931ChemSpider
LMPK12060003LIPID MAPS