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CHEBI:172837 - Loquatifolin A

ChEBI IDCHEBI:172837
ChEBI NameLoquatifolin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H66O18
Net Charge0
Average Mass822.939
Monoisotopic Mass822.42492
SMILESC=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O
WURCSWURCS=2.0/2,4,3/[axxxxh-1x_1-5_1*OC^XCCC=^ECCCC=CC/11C/7C/3C=C/3C][axxxxm-1x_1-5]/1-2-2-2/a4-b1_a6-d1_b4-c1
InChIInChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+
InChIKeyOJGRBKZBRBHZGE-NBVRZTHBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Loquatifolin A (CHEBI:172837) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
2-[[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
Manual XrefsDatabases
HMDB0030434HMDB