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CHEBI:213056 - Chromomycin A3-1

ChEBI IDCHEBI:213056
ChEBI NameChromomycin A3-1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H70O23
Net Charge0
Average Mass1039.087
Monoisotopic Mass1038.43079
SMILESCOC(C(=O)C(O)C(C)O)C1Cc2cc3cc(O[C@H]4C[C@@H](O)[C@@H](OC(C)=O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)C1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@@H](OC(C)=O)[C@H](C)O3)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1
WURCSWURCS=2.0/3,4,3/[ad122m-1b_1-5][ad112m-1b_1-5_4*OCC/3=O][ad611m-1a_1-5_3*C_4*OCC/3=O]/1-2-1-3/a1n2-b1n1*1O(CCCCCCCC$5/6CC$3/12)C(/11)O(/9)CC^XC^XCC^XC^XC/20O/19O/18=O/17OC/16C^XO*2/27C($8/7)O/30=O_a3-c1_c3-d1
InChIInChI=1S/C50H70O23/c1-18-30(70-33-14-29(54)46(22(5)66-33)68-24(7)52)13-27-11-26-12-28(47(63-10)45(61)40(56)19(2)51)48(44(60)38(26)43(59)37(27)39(18)55)73-35-16-31(41(57)21(4)65-35)71-34-15-32(42(58)20(3)64-34)72-36-17-50(9,62)49(23(6)67-36)69-25(8)53/h11,13,19-23,28-29,31-36,40-42,46-49,51,54-59,62H,12,14-17H2,1-10H3/t19?,20-,21-,22-,23+,28?,29-,31-,32-,33+,34+,35+,36+,40?,41-,42-,46+,47?,48?,49+,50+/m1/s1
InChIKeyURILEWKYNYRYFO-GUUYZEKRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1177/1934578x1701200427)
ChEBI Ontology
Outgoing Relation(s)
Chromomycin A3-1 (CHEBI:213056) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
[(2R,3R,4R,6S)-6-[[6-[(2S,4R,5R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,4S,5S,6S)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-hydroxy-2-methyloxan-3-yl] acetate
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