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CHEBI:207974 - Chromomycin SA2

ChEBI IDCHEBI:207974
ChEBI NameChromomycin SA2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H80O25
Net Charge0
Average Mass1153.231
Monoisotopic Mass1152.49887
SMILESCO[C@@H]1[C@H](O)C[C@@H](O[C@@H]2C[C@H](Oc3cc4cc5c(c(O)c4c(O)c3C)C(=O)[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@@H](O[C@H]6C[C@](C)(O)[C@@H](OC(=O)C(C)C)[C@H](C)O6)[C@H](O)[C@@H](C)O4)[C@H](O)[C@@H](C)O3)[C@H]([C@H](OC)C(=O)O)C5)O[C@H](C)[C@@H]2OC(C)=O)O[C@@H]1C
WURCSWURCS=2.0/4,5,4/[ad122m-1b_1-5][ad112m-1b_1-5_4*OCC/3=O][ad112m-1a_1-5_4*OC][ad611m-1a_1-5_3*C_4*OCCC/4C/3=O]/1-2-3-1-4/a1n2-b1n1*1O(CCCCCCCC$5/6CC$3/12)C(/11)O(/9)CC^SC^SCO/18=O/17OC/16C^SO*2/23C($8/7)O/26=O_a3-d1_b3-c1_d3-e1
InChIInChI=1S/C56H80O25/c1-21(2)55(66)81-53-27(8)74-41(20-56(53,10)67)78-35-17-38(70-23(4)46(35)61)77-34-18-40(71-24(5)45(34)60)80-51-31(52(69-12)54(64)65)14-29-13-30-15-33(22(3)44(59)42(30)47(62)43(29)48(51)63)76-39-19-36(50(26(7)73-39)75-28(9)57)79-37-16-32(58)49(68-11)25(6)72-37/h13,15,21,23-27,31-32,34-41,45-46,49-53,58-62,67H,14,16-20H2,1-12H3,(H,64,65)/t23-,24-,25-,26-,27+,31-,32-,34-,35-,36-,37-,38+,39+,40+,41+,45-,46-,49+,50+,51+,52+,53+,56+/m1/s1
InChIKeyAPJCERXOJXYNFX-FKAWAMMXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21807523)
ChEBI Ontology
Outgoing Relation(s)
Chromomycin SA2 (CHEBI:207974) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
(2S)-2-[(2R,3S)-7-[(2S,4R,5S,6R)-5-acetyloxy-4-[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5,10-dihydroxy-3-[(2S,4R,5R,6R)-5-hydroxy-4-[(2S,4R,5R,6R)-5-hydroxy-4-[(2S,4S,5S,6S)-4-hydroxy-4,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyl-4-oxo-2,3-dihydro-1H-anthracen-2-yl]-2-methoxyacetic acid
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