CHEBI:176170 - Margaritene

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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 Margaritene
ChEBI ID CHEBI:176170
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C28H32O14
Net Charge 0
Average Mass 592.550
Monoisotopic Mass 592.17921
InChI InChI=1S/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-14(31)7-13(30)18-15(32)8-16(40-25(18)19)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-24,26-31,33-37H,9H2,1-2H3/t10?,17?,20-,21+,22-,23-,24?,26-,27?,28-/m0/s1
InChIKey AOXGLIJSZLOQNZ-LMBVBGOFSA-N
SMILES O(C1[C@@H](O)[C@H](O)C(O[C@]1(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(OC)C=C4)[H])CO)[C@@H]5OC([C@H](O)[C@H](O)C5O)C
ChEBI Ontology
Outgoing Margaritene (CHEBI:176170) is a C-glycosyl compound (CHEBI:20857)
Margaritene (CHEBI:176170) is a flavonoids (CHEBI:72544)
IUPAC Name
8-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
Manual Xrefs Databases
24843475 ChemSpider
LMPK12110436 LIPID MAPS
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