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CHEBI:228322 - Tenuifoliose A

ChEBI IDCHEBI:228322
ChEBI NameTenuifoliose A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H76O35
Net Charge0
Average Mass1381.255
Monoisotopic Mass1380.41671
SMILESCC(=O)OCC1OC(OC2C(OC(=O)/C=C/c3ccc(O)c(CO)c3)C(COC(C)=O)OC(OC3(COC(=O)/C=C/c4ccc(O)cc4)OC(CO)C(O)C3OC(=O)c3ccccc3)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(C)=O
WURCSWURCS=2.0/4,5,4/[axxxxh-1x_1-5_4*OCC=^EC(CCCCCC$6/9)O(/8)CO/3=O_6*OCC/3=O][haxxxh-2x_2-5_1*OCC=^EC(CCCCCC$6/9)O/3=O_3*OC(CCCCCC$4)/3=O][axxxxh-1x_1-5][axxxxh-1x_1-5_4*OCC/3=O_6*OCC/3=O]/1-2-3-4-3/a1-b2_a2-c1_a3-d1_d3-e1
InChIInChI=1S/C62H76O35/c1-27(67)83-24-39-51(86-29(3)69)53(92-58-48(79)46(77)43(74)36(21-64)87-58)50(81)60(89-39)93-54-52(91-42(73)18-13-31-11-16-35(71)33(19-31)20-63)40(25-84-28(2)68)90-61(55(54)94-59-49(80)47(78)44(75)37(22-65)88-59)97-62(26-85-41(72)17-12-30-9-14-34(70)15-10-30)56(45(76)38(23-66)96-62)95-57(82)32-7-5-4-6-8-32/h4-19,36-40,43-56,58-61,63-66,70-71,74-81H,20-26H2,1-3H3/b17-12+,18-13+
InChIKeyYFGGZRSNRSSQAZ-PWDIZTEBSA-N
ChEBI Ontology
Outgoing Relation(s)
Tenuifoliose A (CHEBI:228322) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
[2-[4-[5-acetyloxy-6-(acetyloxymethyl)-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(acetyloxymethyl)-5-[(E)-3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enoyl]oxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate