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CHEBI:181809 - [(2R,3R,4R,5R,6S)-4,5-Dihydroxy-6-methyl-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-phenylprop-2-enoate

ChEBI IDCHEBI:181809
ChEBI Name[(2R,3R,4R,5R,6S)-4,5-Dihydroxy-6-methyl-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-phenylprop-2-enoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H34O12
Net Charge0
Average Mass586.590
Monoisotopic Mass586.20503
SMILESC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@H]1O
InChIInChI=1S/C30H34O12/c1-17-23(33)26(36)28(41-21(31)14-12-18-8-4-2-5-9-18)30(39-17)38-16-20-24(34)25(35)27(37)29(40-20)42-22(32)15-13-19-10-6-3-7-11-19/h2-15,17,20,23-30,33-37H,16H2,1H3/b14-12+,15-13+/t17-,20+,23-,24+,25-,26+,27+,28+,29-,30+/m0/s1
InChIKeyOWWJIYCJJLVSON-DQLSKFBESA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3R,4R,5R,6S)-4,5-Dihydroxy-6-methyl-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-phenylprop-2-enoate (CHEBI:181809) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-phenylprop-2-enoate
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