Poliumoside (CHEBI:183949)

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CHEBI:183949 - Poliumoside

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ChEBI ID	CHEBI:183949
ChEBI Name	Poliumoside
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H46O19
Net Charge	0
Average Mass	770.734
Monoisotopic Mass	770.26333
SMILES	CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(O)C(OC3OC(C)C(O)C(O)C3O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O
WURCS	WURCS=2.0/2,3,2/[axxxxh-1x_1-5_1OCC(CCCCCC$5/8)O(/7)O_4OCC=^EC(CCCCCC$6/9)O(/8)O/3=O][axxxxm-1x_1-5]/1-2-2/a3-b1_a6-c1
InChI	InChI=1S/C35H46O19/c1-14-24(41)26(43)28(45)33(50-14)49-13-22-31(53-23(40)8-5-16-3-6-18(36)20(38)11-16)32(54-35-29(46)27(44)25(42)15(2)51-35)30(47)34(52-22)48-10-9-17-4-7-19(37)21(39)12-17/h3-8,11-12,14-15,22,24-39,41-47H,9-10,13H2,1-2H3/b8-5+
InChIKey	YMWRMAOPKNYHMZ-VMPITWQZSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	small intestine (BTO:0000651)	MetaboLights (MTBLS3486)	Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835)	Whole Organism (NCIT:C13413)	MetaboLights (MTBLS3486)

ChEBI Ontology

Outgoing Relation(s)
	Poliumoside (CHEBI:183949) is a oligosaccharide (CHEBI:50699)

IUPAC Name
[6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Manual Xrefs	Databases
4946495	ChemSpider

Registry Numbers	Sources
CAS:94079-81-9	ChemIDplus