CHEBI:228305 - Tenuifoliose N

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ChEBI Name Tenuifoliose N
ChEBI ID CHEBI:228305
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C63H78O36
Net Charge 0
Average Mass 1411.281
Monoisotopic Mass 1410.42728
InChI InChI=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
InChIKey BEIREEVQRMGGTG-GEJZLGIWSA-N
SMILES O([C@H]1O[C@@H]([C@@H](OC(=O)/C=C/C2=CC(OC)=C(O)C=C2)[C@H](O[C@H]3O[C@@H]([C@@H](OC(=O)C)[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)[C@H]3O)COC(=O)C)[C@H]1O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)COC(=O)C)[C@@]6(O[C@@H]([C@@H](O)[C@@H]6OC(=O)C7=CC=CC=C7)CO)COC(=O)/C=C/C8=CC(OC)=C(O)C=C8
ChEBI Ontology
Outgoing 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