CHEBI:228309 - Tenuifoliose P

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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 P
ChEBI ID CHEBI:228309
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C59H74O34
Net Charge 0
Average Mass 1327.207
Monoisotopic Mass 1326.40615
InChI InChI=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
InChIKey QPMDXYWECMAJNN-XWKGHZHVSA-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](O)[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)CO)[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 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