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CHEBI:216064 - Sch 58773

ChEBI IDCHEBI:216064
ChEBI NameSch 58773
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FormulaC69H95Cl2NO38
Net Charge0
Average Mass1617.394
Monoisotopic Mass1615.49091
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](O)[C@H](C)O6)[C@H](OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)[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(/8)Cl(/7)O(/6)Cl(/5)OC/3=O][ad611m-1a_1-5_3*C_3*NO/2=O]/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/C69H95Cl2NO38/c1-23-14-30(73)15-31(74)39(23)60(82)99-35-21-93-69(59-52(35)91-22-92-59)107-36-20-90-62(45(78)51(36)108-69)105-64-55(89-13)44(77)50(34(100-64)19-86-10)103-63-46(79)54(49(87-11)26(4)96-63)104-65-57(81)67(9)58(29(7)97-65)109-68(110-67)17-32(75)47(27(5)106-68)101-37-16-33(98-38-18-66(8,72(84)85)56(80)28(6)95-38)48(25(3)94-37)102-61(83)40-24(2)41(70)43(76)42(71)53(40)88-12/h14-15,25-29,32-38,44-52,54-59,62-65,73-81H,16-22H2,1-13H3/t25-,26-,27-,28+,29-,32-,33-,34-,35-,36+,37+,38+,44+,45-,46-,47-,48-,49+,50-,51-,52+,54-,55+,56+,57-,58-,59-,62+,63+,64+,65+,66+,67-,68-,69-/m1/s1
InChIKeyAROCVFBMTMCKDF-AOCCOJOLSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (12444681)
ChEBI Ontology
Outgoing Relation(s)
Sch 58773 (CHEBI:216064) 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-hydroxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
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24708703ChemSpider