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CHEBI:212968 - Acetylalterporriol E

ChEBI IDCHEBI:212968
ChEBI NameAcetylalterporriol E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H32O17
Net Charge0
Average Mass712.613
Monoisotopic Mass712.16395
SMILESCOc1cc(O)c2c(c1-c1c(OC)cc(O)c3c1C(=O)C1=C(C3=O)[C@H](O)[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]1O)C(=O)C1=C(C2=O)[C@H](O)[C@@H](O)[C@@](C)(O)[C@@H]1O
InChIInChI=1S/C34H32O17/c1-8(35)51-32-28(43)20-22(30(45)34(32,3)48)26(41)18-14(24(20)39)10(37)7-12(50-5)16(18)15-11(49-4)6-9(36)13-17(15)25(40)21-19(23(13)38)27(42)31(46)33(2,47)29(21)44/h6-7,27-32,36-37,42-48H,1-5H3/t27-,28-,29+,30+,31+,32+,33-,34-/m0/s1
InChIKeyXXIDNLWSJPIFHF-PMYZHRLVSA-N
Species of MetaboliteComponentSourceComments
Stemphylium globuliferum (ncbitaxon:245170) - DOI (10.1002/ejoc.201500079)
ChEBI Ontology
Outgoing Relation(s)
Acetylalterporriol E (CHEBI:212968) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
[(1S,2R,3S,4R)-1,3,4,8-tetrahydroxy-6-methoxy-3-methyl-9,10-dioxo-5-[(5S,6R,7S,8R)-4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5H-anthracen-1-yl]-2,4-dihydro-1H-anthracen-2-yl] acetate
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128438718ChemSpider