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CHEBI:228309 - Tenuifoliose P

ChEBI IDCHEBI:228309
ChEBI NameTenuifoliose P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H74O34
Net Charge0
Average Mass1327.207
Monoisotopic Mass1326.40615
SMILESCOc1cc(/C=C/C(=O)OC[C@@]2(O[C@H]3O[C@H](CO)[C@@H](OC(=O)/C=C/c4ccc(O)c(OC)c4)[C@H](O[C@H]4O[C@H](COC(C)=O)[C@@H](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][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_6*OCC/3=O][a2122h-1a_1-5]/1-2-3-4-5/a1-b2_a2-c1_a3-d1_d3-e1
InChIInChI=1S/C59H74O34/c1-25(64)81-23-37-42(71)50(88-55-46(75)44(73)40(69)33(19-60)83-55)48(77)57(86-37)89-51-49(87-39(68)16-12-27-10-14-30(66)32(18-27)80-3)36(22-63)85-58(52(51)90-56-47(76)45(74)41(70)34(20-61)84-56)93-59(24-82-38(67)15-11-26-9-13-29(65)31(17-26)79-2)53(43(72)35(21-62)92-59)91-54(78)28-7-5-4-6-8-28/h4-18,33-37,40-53,55-58,60-63,65-66,69-77H,19-24H2,1-3H3/b15-11+,16-12+/t33-,34-,35-,36-,37-,40-,41-,42-,43-,44+,45+,46-,47-,48-,49-,50+,51+,52-,53+,55-,56+,57-,58-,59+/m1/s1
InChIKeyQPMDXYWECMAJNN-XWKGHZHVSA-N
ChEBI Ontology
Outgoing Relation(s)
Tenuifoliose P (CHEBI:228309) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)-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