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CHEBI:219856 - Sch 58769

ChEBI IDCHEBI:219856
ChEBI NameSch 58769
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FormulaC69H96ClNO38
Net Charge0
Average Mass1582.949
Monoisotopic Mass1581.52989
SMILESCOC[C@H]1O[C@@H](O[C@@H]2OC[C@@H]3O[C@@]4(OC[C@@H](OC(=O)c5c(C)cc(O)cc5O)[C@@H]5OCO[C@H]54)O[C@H]3[C@H]2O)[C@@H](OC)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@H]3O[C@]4(C[C@@H](O)[C@H](O[C@H]5C[C@@H](O[C@H]6C[C@](C)([N+](=O)[O-])[C@@H](OC)[C@H](C)O6)[C@H](OC(=O)c6c(C)cc(O)c(Cl)c6O)[C@@H](C)O5)[C@@H](C)O4)O[C@]3(C)[C@@H]2O)[C@H]1O
WURCSWURCS=2.0/6,6,5/[a1122h-1b_1-5_2*OC_6*OC][a221h-1a_1-5_3-4*OC^SO*/3C^RC^RC^ROC(CCCCCC$11/16)O(/14)O(/12)C/10=O/8CO$3/7OCO$6][a2112m-1b_1-5_4*OC][a1522m-1b_1-5_3*C][ad122m-1b_1-5_4*OC(CCCCCC$4/9)C(/7)O(/6)Cl(/5)O/3=O][ad611m-1a_1-5_3*C_3*NO/2=O_4*OC]/1-2-3-4-5-6/d3n2-d4n2-e1n1*1OC^SC^ROC^RO*2/6O*2/6CC^R$3/12O/4C_a1-b1_a4-c1_c3-d1_e3-f1
InChIInChI=1S/C69H96ClNO38/c1-24-14-31(72)16-32(73)41(24)60(81)98-37-22-92-69(59-53(37)90-23-91-59)106-38-21-89-62(46(78)52(38)107-69)104-64-55(87-12)45(77)51(36(99-64)20-85-10)102-63-47(79)54(50(86-11)27(4)95-63)103-65-56(80)67(9)58(30(7)96-65)108-68(109-67)18-34(75)48(28(5)105-68)100-39-17-35(97-40-19-66(8,71(83)84)57(88-13)29(6)94-40)49(26(3)93-39)101-61(82)42-25(2)15-33(74)43(70)44(42)76/h14-16,26-30,34-40,45-59,62-65,72-80H,17-23H2,1-13H3/t26-,27-,28-,29+,30-,34-,35-,36-,37-,38+,39+,40+,45+,46-,47-,48-,49-,50+,51-,52-,53+,54-,55+,56-,57+,58-,59-,62+,63+,64+,65+,66+,67-,68-,69-/m1/s1
InChIKeyQOLCQSMNOVLBMK-DJELFNRCSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (12444681)
ChEBI Ontology
Outgoing Relation(s)
Sch 58769 (CHEBI:219856) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
[(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(3aR,3'aS,4R,6'S,7R,7'R,7aS,7'aS)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7'-hydroxyspiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6'-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4',7-dihydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3-chloro-2,4-dihydroxy-6-methylbenzoate
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