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CHEBI:225272 - Monacyclinone E

ChEBI IDCHEBI:225272
ChEBI NameMonacyclinone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31NO8
Net Charge0
Average Mass497.544
Monoisotopic Mass497.20497
SMILESC[C@@H]1O[C@@H](c2ccc3c(c2O)C(=O)c2ccc(C[C@@](C)(O)CC(=O)O)c(O)c2C3=O)CC[C@@H]1N(C)C
InChIInChI=1S/C27H31NO8/c1-13-18(28(3)4)9-10-19(36-13)15-7-8-17-22(24(15)32)26(34)16-6-5-14(23(31)21(16)25(17)33)11-27(2,35)12-20(29)30/h5-8,13,18-19,31-32,35H,9-12H2,1-4H3,(H,29,30)/t13-,18-,19+,27+/m0/s1
InChIKeySRYOJNZDZIEUBQ-GADWBQAHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (26230704)
ChEBI Ontology
Outgoing Relation(s)
Monacyclinone E (CHEBI:225272) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(3R)-4-[6-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-1,5-dihydroxy-9,10-dioxoanthracen-2-yl]-3-hydroxy-3-methylbutanoic acid
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78440667ChemSpider