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CHEBI:212602 - Alterporriol N

ChEBI IDCHEBI:212602
ChEBI NameAlterporriol N
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O14
Net Charge0
Average Mass638.578
Monoisotopic Mass638.16356
SMILESCOc1cc(O)c2c(c1-c1c(OC)cc(O)c3c1C(=O)C1=C(C[C@@H](O)[C@@](C)(O)[C@@H]1O)C3=O)C(=O)C1=C(C[C@@H](O)[C@@](C)(O)[C@@H]1O)C2=O
InChIInChI=1S/C32H30O14/c1-31(43)15(35)5-9-17(29(31)41)27(39)23-19(25(9)37)11(33)7-13(45-3)21(23)22-14(46-4)8-12(34)20-24(22)28(40)18-10(26(20)38)6-16(36)32(2,44)30(18)42/h7-8,15-16,29-30,33-36,41-44H,5-6H2,1-4H3/t15-,16-,29-,30-,31-,32-/m1/s1
InChIKeyHPRQIJBYHJQTCF-WQQAWHSESA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies ZJ-2008003 (ncbitaxon:1081808) - PubMed (22276679)
ChEBI Ontology
Outgoing Relation(s)
Alterporriol N (CHEBI:212602) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(2R,3R,4R)-2,3,4,8-tetrahydroxy-6-methoxy-3-methyl-5-[(6R,7R,8R)-4,6,7,8-tetrahydroxy-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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