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CHEBI:168891 - Protoleucomelone

ChEBI IDCHEBI:168891
ChEBI NameProtoleucomelone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H28O14
Net Charge0
Average Mass636.562
Monoisotopic Mass636.14791
SMILESCC(=O)Oc1ccc(-c2c(OC(C)=O)c(OC(C)=O)c(-c3ccc(OC(C)=O)c(OC(C)=O)c3)c(OC(C)=O)c2OC(C)=O)cc1
InChIInChI=1S/C32H28O14/c1-15(33)40-24-11-8-22(9-12-24)27-29(43-18(4)36)31(45-20(6)38)28(32(46-21(7)39)30(27)44-19(5)37)23-10-13-25(41-16(2)34)26(14-23)42-17(3)35/h8-14H,1-7H3
InChIKeyHPFJFTKHDYGPOR-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)
Protoleucomelone (CHEBI:168891) is a para-terphenyl (CHEBI:75874)
IUPAC Name 
[4-[2,3,5,6-tetraacetyloxy-4-(3,4-diacetyloxyphenyl)phenyl]phenyl] acetate
Manual XrefsDatabases
358629ChemSpider