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CHEBI:182661 - 2-[2-[5-[4-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-5-hydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol

ChEBI IDCHEBI:182661
ChEBI Name2-[2-[5-[4-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-5-hydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H84O22
Net Charge0
Average Mass1037.200
Monoisotopic Mass1036.54542
SMILESC=CC(C)(CCC1(C)C(C)CC(OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C2(C)C(C)=CCCC12)OC1OC(C)C(O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O
InChIInChI=1S/C50H84O22/c1-12-48(9,72-47-42(71-45-39(62)35(58)30(53)23(6)65-45)40(32(55)25(8)67-47)69-43-37(60)33(56)28(51)21(4)63-43)16-17-49(10)20(3)18-27(50(11)19(2)14-13-15-26(49)50)68-46-41(36(59)31(54)24(7)66-46)70-44-38(61)34(57)29(52)22(5)64-44/h12,14,20-47,51-62H,1,13,15-18H2,2-11H3
InChIKeyCEERFMUHIRRAPN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
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)
2-[2-[5-[4-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-5-hydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol (CHEBI:182661) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
2-[2-[5-[4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-5-hydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol