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CHEBI:208691 - Stemphylanthranol A

ChEBI IDCHEBI:208691
ChEBI NameStemphylanthranol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H40O21
Net Charge0
Average Mass952.827
Monoisotopic Mass952.20621
SMILESCOc1cc(O)c2c(c1-c1c(OC)cc(O)c3c1C(=O)c1cc(C)c(O)c(-c4c(OC)cc(O)c5c4C(=O)C4=C(C5=O)[C@H](O)[C@@H](O)[C@@](C)(O)[C@@H]4O)c1C3=O)C(=O)C1=C(C2=O)[C@H](O)[C@@H](O)[C@@](C)(O)[C@@H]1O
InChIInChI=1S/C48H40O21/c1-11-7-12-19(26(34(11)52)25-18(69-6)10-15(51)22-29(25)40(58)33-31(38(22)56)42(60)46(64)48(3,66)44(33)62)36(54)20-13(49)8-16(67-4)23(27(20)35(12)53)24-17(68-5)9-14(50)21-28(24)39(57)32-30(37(21)55)41(59)45(63)47(2,65)43(32)61/h7-10,41-46,49-52,59-66H,1-6H3/t41-,42-,43+,44+,45+,46+,47-,48-/m0/s1
InChIKeyLYUMKSDIGKNADO-AIBPSTIFSA-N
Species of MetaboliteComponentSourceComments
Stemphylium globuliferum (ncbitaxon:245170) - PubMed (25010124)
ChEBI Ontology
Outgoing Relation(s)
Stemphylanthranol A (CHEBI:208691) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
2,8-dihydroxy-6-methoxy-3-methyl-1,5-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
34485442ChemSpider