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CHEBI:169030 - Mulberroside F

ChEBI IDCHEBI:169030
ChEBI NameMulberroside F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O14
Net Charge0
Average Mass566.512
Monoisotopic Mass566.16356
SMILESOC[C@H]1O[C@@H](Oc2cc(O)cc(-c3cc4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4o3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C26H30O14/c27-8-17-19(30)21(32)23(34)25(39-17)36-13-2-1-10-5-15(38-16(10)7-13)11-3-12(29)6-14(4-11)37-26-24(35)22(33)20(31)18(9-28)40-26/h1-7,17-35H,8-9H2/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1
InChIKeyYPMOTUXWPXDQDJ-PCIRLDFKSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Mulberroside F (CHEBI:169030) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-benzouran-6-yl]oxy]oxane-3,4,5-triol
Manual XrefsDatabases
29814036ChemSpider