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CHEBI:204637 - Stemphylanthranol B

ChEBI IDCHEBI:204637
ChEBI NameStemphylanthranol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H40O21
Net Charge0
Average Mass952.827
Monoisotopic Mass952.20621
SMILESCOc1cc2c(c(O)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)c1c(cc(C)c(O)c1-c1c(OC)cc(O)c3c1C(=O)C1=C(C3=O)[C@H](O)[C@@H](O)[C@@](C)(O)[C@@H]1O)C2=O
InChIInChI=1S/C48H40O21/c1-11-7-12-19(26(33(11)51)24-18(69-6)10-15(50)22-28(24)40(58)32-30(38(22)56)42(60)46(64)48(3,66)44(32)62)35(53)20-13(34(12)52)8-16(67-4)25(36(20)54)23-17(68-5)9-14(49)21-27(23)39(57)31-29(37(21)55)41(59)45(63)47(2,65)43(31)61/h7-10,41-46,49-51,54,59-66H,1-6H3/t41-,42-,43+,44+,45+,46+,47-,48-/m0/s1
InChIKeyPVDRYVWUAFTKGP-AIBPSTIFSA-N
Species of MetaboliteComponentSourceComments
Stemphylium globuliferum (ncbitaxon:245170) - PubMed (25010124)
ChEBI Ontology
Outgoing Relation(s)
Stemphylanthranol B (CHEBI:204637) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
1,7-dihydroxy-3-methoxy-6-methyl-2,8-bis[(5S,6R,7S,8R)-4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5H-anthracen-1-yl]anthracene-9,10-dione
Manual XrefsDatabases
78437169ChemSpider