CHEBI:228317 - Tenuifoliose H

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tenuifoliose H
ChEBI ID CHEBI:228317
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C61H74O34
Net Charge 0
Average Mass 1351.229
Monoisotopic Mass 1350.40615
InChI InChI=1S/C61H74O34/c1-27(65)81-24-38-50(84-29(3)67)52(90-57-47(77)45(75)42(72)35(21-62)85-57)49(79)59(87-38)91-53-51(89-41(71)20-14-31-11-17-34(69)18-12-31)39(25-82-28(2)66)88-60(54(53)92-58-48(78)46(76)43(73)36(22-63)86-58)95-61(26-83-40(70)19-13-30-9-15-33(68)16-10-30)55(44(74)37(23-64)94-61)93-56(80)32-7-5-4-6-8-32/h4-20,35-39,42-55,57-60,62-64,68-69,72-79H,21-26H2,1-3H3/b19-13+,20-14+/t35-,36+,37+,38+,39+,42+,43-,44-,45-,46+,47+,48-,49-,50+,51-,52+,53+,54+,55-,57+,58+,59-,60-,61+/m1/s1
InChIKey XIFPYQUNAMJPOH-RTXITLDNSA-N
SMILES O([C@H]1O[C@H]([C@@H](OC(=O)/C=C/C2=CC=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=C(O)C=C8
ChEBI Ontology
Outgoing Tenuifoliose H (CHEBI:228317) is a oligosaccharide (CHEBI:50699)
IUPAC Name
[(2S,3R,4R,5S)-2-[(2R,3S,4S,5R,6S)-4-[(2R,3R,4S,5S,6S)-5-acetyloxy-6-(acetyloxymethyl)-3-hydroxy-4-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(acetyloxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6S)-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