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CHEBI:197609 - Aranciamycin anhydride

ChEBI IDCHEBI:197609
ChEBI NameAranciamycin anhydride
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H36O16
Net Charge0
Average Mass724.668
Monoisotopic Mass724.20034
SMILESCOC1[C@H](CO[C@@H]2c3c(cc4c(c3O)C(=O)c3c(O)cccc3C4=O)C(=O)[C@@](C)(O)[C@H]2OC)OC(C)[C@H](OC(=O)CCC2=C(C)C(=O)OC2=O)[C@@H]1O
InChIInChI=1S/C36H36O16/c1-13-15(35(45)52-34(13)44)9-10-21(38)51-29-14(2)50-20(30(47-4)28(29)42)12-49-31-24-18(32(43)36(3,46)33(31)48-5)11-17-23(27(24)41)26(40)22-16(25(17)39)7-6-8-19(22)37/h6-8,11,14,20,28-31,33,37,41-42,46H,9-10,12H2,1-5H3/t14?,20-,28-,29-,30?,31+,33-,36+/m0/s1
InChIKeyQQINRESABYUJSC-RSAYQWSXSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (20551987)
ChEBI Ontology
Outgoing Relation(s)
Aranciamycin anhydride (CHEBI:197609) is a quinone (CHEBI:36141)
Aranciamycin anhydride (CHEBI:197609) is a tetracenes (CHEBI:51270)
IUPAC Name 
[(3R,4R,6S)-4-hydroxy-5-methoxy-2-methyl-6-[[(1R,2S,3S)-3,10,12-trihydroxy-2-methoxy-3-methyl-4,6,11-trioxo-1,2-dihydrotetracen-1-yl]oxymethyl]oxan-3-yl] 3-(4-methyl-2,5-dioxouran-3-yl)propanoate
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