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CHEBI:210327 - Alterporriol Z3

ChEBI IDCHEBI:210327
ChEBI NameAlterporriol Z3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H26O13
Net Charge0
Average Mass618.547
Monoisotopic Mass618.13734
SMILESCOc1cc(O)c2c(c1-c1c(O)c(C)cc3c1C(=O)c1c(O)cc(O)cc1C3=O)C(=O)C1=C(C2=O)[C@@H](OC)[C@@H](O)[C@@](C)(O)[C@H]1O
InChIInChI=1S/C32H26O13/c1-9-5-11-17(26(38)16-12(25(11)37)6-10(33)7-13(16)34)20(24(9)36)19-15(44-3)8-14(35)18-21(19)28(40)23-22(27(18)39)29(45-4)31(42)32(2,43)30(23)41/h5-8,29-31,33-36,41-43H,1-4H3/t29-,30+,31-,32+/m1/s1
InChIKeySDXUYQBXBAKGEE-IQLXHWPESA-N
Species of MetaboliteComponentSourceComments
Stemphyliumspecies FJJ006 (ncbitaxon:1874986) - PubMed (32825785)
ChEBI Ontology
Outgoing Relation(s)
Alterporriol Z3 (CHEBI:210327) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
2,6,8-trihydroxy-3-methyl-1-[(5R,6R,7S,8S)-4,6,7,8-tetrahydroxy-2,5-dimethoxy-7-methyl-9,10-dioxo-6,8-dihydro-5H-anthracen-1-yl]anthracene-9,10-dione