[(2s,3r,4s,5r,6r)-6-[[(2r,3s,4s,5r,6r)-3,4-dihydroxy-6-[(2e,6e,10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]-5-[(2s,3r,4r,5s,6s)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate (CHEBI:183999)

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CHEBI:183999 - [(2s,3r,4s,5r,6r)-6-[[(2r,3s,4s,5r,6r)-3,4-dihydroxy-6-[(2e,6e,10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]-5-[(2s,3r,4r,5s,6s)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate

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ChEBI ID	CHEBI:183999
ChEBI Name	[(2s,3r,4s,5r,6r)-6-[[(2r,3s,4s,5r,6r)-3,4-dihydroxy-6-[(2e,6e,10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]-5-[(2s,3r,4r,5s,6s)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C46H72O18
Net Charge	0
Average Mass	913.064
Monoisotopic Mass	912.47187
SMILES	CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](C)O[C@@H](O[C@H]2[C@H](OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@H](CO[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@@H]1OC(C)=O
InChI	InChI=1S/C46H72O18/c1-24(2)15-12-16-25(3)17-13-18-26(4)19-14-20-27(5)21-22-55-45-41(64-46-43(62-33(11)50)42(61-32(10)49)40(29(7)58-46)60-31(9)48)36(52)35(51)34(63-45)23-56-44-38(54)37(53)39(28(6)57-44)59-30(8)47/h15,17,19,21,28-29,34-46,51-54H,12-14,16,18,20,22-23H2,1-11H3/b25-17+,26-19+,27-21+/t28-,29-,34+,35+,36-,37-,38+,39-,40-,41+,42+,43+,44+,45+,46-/m0/s1
InChIKey	OTAFZEHRJNHBDI-GUBURHFBSA-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)
	[(2s,3r,4s,5r,6r)-6-[[(2r,3s,4s,5r,6r)-3,4-dihydroxy-6-[(2e,6e,10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]-5-[(2s,3r,4r,5s,6s)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate (CHEBI:183999) is a diterpene glycoside (CHEBI:71939)

IUPAC Name
[(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]-5-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate

Manual Xrefs	Databases
22936681	ChemSpider