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CHEBI:218305 - Alterporriol U

ChEBI IDCHEBI:218305
ChEBI NameAlterporriol U
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O12
Net Charge0
Average Mass606.580
Monoisotopic Mass606.17373
SMILESCOc1cc2c(c(O)c1-c1c(OC)cc(O)c3c1C(=O)C1=C(C[C@@H](O)[C@@](C)(O)C1)C3=O)C(=O)C1=C(C[C@](C)(O)[C@H](O)C1)C2=O
InChIInChI=1S/C32H30O12/c1-31(41)9-14-11(6-19(31)34)27(37)21-13(26(14)36)5-17(43-3)24(30(21)40)23-18(44-4)8-16(33)22-25(23)29(39)15-10-32(2,42)20(35)7-12(15)28(22)38/h5,8,19-20,33-35,40-42H,6-7,9-10H2,1-4H3/t19-,20-,31+,32+/m1/s1
InChIKeyJQTNVWBFASHYGV-NLYGGHDJSA-N
Species of MetaboliteComponentSourceComments
Stemphyliumspecies 33231 (ncbitaxon:1418481) - PubMed (25136754)
ChEBI Ontology
Outgoing Relation(s)
Alterporriol U (CHEBI:218305) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(2R,3S)-2,3,8-trihydroxy-6-methoxy-3-methyl-7-[(6R,7S)-4,6,7-trihydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5H-anthracen-1-yl]-2,4-dihydro-1H-anthracene-9,10-dione
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