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CHEBI:228305 - Tenuifoliose N

ChEBI IDCHEBI:228305
ChEBI NameTenuifoliose N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H78O36
Net Charge0
Average Mass1411.281
Monoisotopic Mass1410.42728
SMILESCOc1cc(/C=C/C(=O)OC[C@@]2(O[C@H]3O[C@H](COC(C)=O)[C@@H](OC(=O)/C=C/c4ccc(O)c(OC)c4)[C@H](O[C@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)c2ccccc2)ccc1O
WURCSWURCS=2.0/5,5,4/[a2122h-1a_1-5_4*OCC=^EC(CCCCCC$6/9)O(/8)OC/3=O_6*OCC/3=O][ha122h-2b_2-5_1*OCC=^EC(CCCCCC$6/9)O(/8)OC/3=O_3*OC(CCCCCC$4)/3=O][a2122h-1b_1-5][a2122h-1a_1-5_4*OCC/3=O_6*OCC/3=O][a2122h-1a_1-5]/1-2-3-4-5/a1-b2_a2-c1_a3-d1_d3-e1
InChIInChI=1S/C63H78O36/c1-27(67)85-24-40-52(88-29(3)69)54(94-59-49(79)47(77)44(74)37(21-64)89-59)51(81)61(91-40)95-55-53(93-43(73)18-14-31-12-16-34(71)36(20-31)84-5)41(25-86-28(2)68)92-62(56(55)96-60-50(80)48(78)45(75)38(22-65)90-60)99-63(26-87-42(72)17-13-30-11-15-33(70)35(19-30)83-4)57(46(76)39(23-66)98-63)97-58(82)32-9-7-6-8-10-32/h6-20,37-41,44-57,59-62,64-66,70-71,74-81H,21-26H2,1-5H3/b17-13+,18-14+/t37-,38-,39-,40-,41-,44-,45-,46-,47+,48+,49-,50-,51-,52-,53-,54-,55+,56-,57+,59-,60+,61-,62-,63+/m1/s1
InChIKeyBEIREEVQRMGGTG-GEJZLGIWSA-N
ChEBI Ontology
Outgoing Relation(s)
Tenuifoliose N (CHEBI:228305) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4R,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-3-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(acetyloxymethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate