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CHEBI:209121 - 3A-deolivosyl-mithramycin

ChEBI IDCHEBI:209121
ChEBI Name3A-deolivosyl-mithramycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H66O21
Net Charge0
Average Mass955.013
Monoisotopic Mass954.40966
SMILESCO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O)[C@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](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][ad622m-1b_1-5_3*C]/1-1-2-3/a1n2-b1n1*1O(CCCCCCCC$5/6CC$3/12)C(/11)O(/9)CC^SC^SCC^SC^RC/20O/19O/18=O/17OC/16C^SO*2/27C($8/7)O/30=O_a3-c1_c3-d1
InChIInChI=1S/C46H66O21/c1-16-26(64-29-12-25(48)37(51)18(3)60-29)11-23-9-22-10-24(43(59-8)42(56)36(50)17(2)47)44(41(55)34(22)40(54)33(23)35(16)49)67-31-14-27(38(52)20(5)62-31)65-30-13-28(39(53)19(4)61-30)66-32-15-46(7,58)45(57)21(6)63-32/h9,11,17-21,24-25,27-32,36-39,43-45,47-54,57-58H,10,12-15H2,1-8H3/t17-,18-,19-,20-,21-,24+,25-,27-,28-,29+,30+,31+,32+,36+,37-,38-,39+,43+,44+,45-,46+/m1/s1
InChIKeyIDDKQVJMKNCIAN-VHLDJYAGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces argillaceus (ncbitaxon:41951) - PubMed (18197601)
ChEBI Ontology
Outgoing Relation(s)
3A-deolivosyl-mithramycin (CHEBI:209121) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
(2S,3S)-2-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4-[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one
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