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CHEBI:192405 - alterporriol E

ChEBI IDCHEBI:192405
ChEBI Namealterporriol E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O16
Net Charge0
Average Mass670.576
Monoisotopic Mass670.15338
SMILESCOc1cc(O)c2c(c1-c1c(OC)cc(O)c3c1C(=O)C1=C(C3=O)[C@H](O)[C@@H](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/C32H30O16/c1-31(45)27(41)19-17(25(39)29(31)43)21(35)11-7(33)5-9(47-3)13(15(11)23(19)37)14-10(48-4)6-8(34)12-16(14)24(38)20-18(22(12)36)26(40)30(44)32(2,46)28(20)42/h5-6,25-30,33-34,39-46H,1-4H3/t25-,26-,27+,28+,29+,30+,31-,32-/m0/s1
InChIKeyIXBPWSPJMNOFJJ-KNEUHGCLSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
alterporriol E (CHEBI:192405) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(1S,2R,3S,4R)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-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-anthracene-9,10-dione
Manual XrefsDatabases
169379ChemSpider
Registry NumbersSources
CAS:119644-07-4ChemIDplus