CHEBI:172837 - Loquatifolin A

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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 Loquatifolin A
ChEBI ID CHEBI:172837
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H66O18
Net Charge 0
Average Mass 822.939
Monoisotopic Mass 822.42492
InChI InChI=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+
InChIKey OJGRBKZBRBHZGE-NBVRZTHBSA-N
SMILES O(C1C(OC(OC(CC/C=C(/CCC=C(C)C)\C)(C)C=C)C(O)C1O)COC2OC(C(O)C(O)C2O)C)C3OC(C(OC4OC(C(O)C(O)C4O)C)C(O)C3O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0030434 HMDB
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