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CHEBI:219706 - Arixanthomycin A

ChEBI IDCHEBI:219706
ChEBI NameArixanthomycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H37NO14
Net Charge0
Average Mass719.696
Monoisotopic Mass719.22140
SMILESCO[C@@H]1[C@@H](OC)[C@H](Oc2cccc3c(=O)c4c(O)c5c(c(O)c4oc23)CCc2cc3c(c(O)c2-5)C(=O)N2[C@@H](C(=O)O)CO[C@]2(C)C3)O[C@H](C)[C@H]1OC
InChIInChI=1S/C37H37NO14/c1-14-29(46-3)32(47-4)33(48-5)36(50-14)51-20-8-6-7-18-25(39)24-28(42)23-17(26(40)31(24)52-30(18)20)10-9-15-11-16-12-37(2)38(19(13-49-37)35(44)45)34(43)22(16)27(41)21(15)23/h6-8,11,14,19,29,32-33,36,40-42H,9-10,12-13H2,1-5H3,(H,44,45)/t14-,19-,29-,32+,33-,36+,37-/m1/s1
InChIKeyIVHSBKKKCDBQDC-IPFCJIHFSA-N
ChEBI Ontology
Outgoing Relation(s)
Arixanthomycin A (CHEBI:219706) is a benzochromenone (CHEBI:64986)
Arixanthomycin A (CHEBI:219706) is a glycoside (CHEBI:24400)
IUPAC Name 
(7R,10R)-3,18,29-trihydroxy-10-methyl-5,27-dioxo-22-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-9,20-dioxa-6-azaheptacyclo[15.12.0.02,14.04,12.06,10.019,28.021,26]nonacosa-1(17),2,4(12),13,18,21(26),22,24,28-nonaene-7-carboxylic acid
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