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CHEBI:169331 - Matsutakeside I

ChEBI IDCHEBI:169331
ChEBI NameMatsutakeside I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36O14
Net Charge0
Average Mass620.604
Monoisotopic Mass620.21051
SMILESCOc1cc(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc2cc(-c3ccc4c(c3)OCO4)oc12
InChIInChI=1S/C30H36O14/c1-37-21-8-14(7-16-10-19(43-28(16)21)15-4-5-18-20(9-15)42-13-41-18)3-2-6-38-30-27(36)25(34)24(33)22(44-30)12-40-29-26(35)23(32)17(31)11-39-29/h4-5,7-10,17,22-27,29-36H,2-3,6,11-13H2,1H3
InChIKeyJKLGFSBPEZTFTQ-UHFFFAOYSA-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)
Matsutakeside I (CHEBI:169331) is a benzofurans (CHEBI:35259)
IUPAC Name 
2-[3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzouran-5-yl]propoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0036746HMDB
313814ChemSpider