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CHEBI:222093 - OM-4842

ChEBI IDCHEBI:222093
ChEBI NameOM-4842
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H46O14
Net Charge0
Average Mass714.761
Monoisotopic Mass714.28876
SMILESC[C@@H]1O[C@@H](O[C@@H]2C[C@H](c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@]4(O[C@H]5CC[C@H](O)[C@H](C)O5)C(=O)C[C@](C)(O)C[C@@]4(O)C=C3)O[C@H](C)[C@H]2O)CC[C@@H]1O
InChIInChI=1S/C37H46O14/c1-16-22(38)7-9-27(48-16)50-25-13-24(47-18(3)31(25)41)19-5-6-20-29(32(19)42)33(43)21-11-12-36(46)15-35(4,45)14-26(40)37(36,30(21)34(20)44)51-28-10-8-23(39)17(2)49-28/h5-6,11-12,16-18,22-25,27-28,31,38-39,41-42,45-46H,7-10,13-15H2,1-4H3/t16-,17-,18+,22-,23-,24+,25+,27-,28-,31+,35-,36-,37+/m0/s1
InChIKeyNXMILGRUJOPZOM-SPOSRZSFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3403378)
ChEBI Ontology
Outgoing Relation(s)
OM-4842 (CHEBI:222093) is a anthraquinone (CHEBI:22580)
OM-4842 (CHEBI:222093) is a glycoside (CHEBI:24400)
IUPAC Name 
(3R,4aR,12bR)-3,4a,8-trihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-12b-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
59701004ChemSpider