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CHEBI:216094 - DMI-2

ChEBI IDCHEBI:216094
ChEBI NameDMI-2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H54O17
Net Charge0
Average Mass854.899
Monoisotopic Mass854.33610
SMILESCCCC(C)/C=C(/C)C(=O)OC1C(C)OC(OC2CCC(O[C@@H]3C(=O)C(C(C)=O)C(=O)[C@@]4(O)C(=O)c5c(O)c6c(c(C)c5C[C@@]34O)C(=O)C(OC)=CC6=O)OC2C)CC1(C)O
InChIInChI=1S/C44H54O17/c1-10-11-18(2)14-19(3)41(52)61-39-23(7)58-29(17-42(39,8)53)59-26-12-13-28(57-22(26)6)60-40-36(49)31(21(5)45)37(50)44(55)38(51)32-24(16-43(40,44)54)20(4)30-33(35(32)48)25(46)15-27(56-9)34(30)47/h14-15,18,22-23,26,28-29,31,39-40,48,53-55H,10-13,16-17H2,1-9H3/b19-14-/t18?,22?,23?,26?,28?,29?,31?,39?,40-,42?,43-,44-/m1/s1
InChIKeyKCUVVZTYBUSUNK-JNQQHUSMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.3109/14756369609020164)
ChEBI Ontology
Outgoing Relation(s)
DMI-2 (CHEBI:216094) is a anthraquinone (CHEBI:22580)
DMI-2 (CHEBI:216094) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[6-[[(1S,4aR,12aR)-3-acetyl-4a,6,12a-trihydroxy-9-methoxy-11-methyl-2,4,5,7,10-pentaoxo-1,12-dihydrotetracen-1-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] (Z)-2,4-dimethylhept-2-enoate
Manual XrefsDatabases
78445278ChemSpider