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CHEBI:81905 - 3A-Deolivosylpremithramycin B

Default Structure
ChEBI IDCHEBI:81905
ChEBI Name3A-Deolivosylpremithramycin B
Stars
DownloadsMolfile
FormulaC47H62O21
Net Charge0
Average Mass962.992
Monoisotopic Mass962.37836
SMILES[H][C@@]12Cc3cc4cc(O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)c(C)c(O)c4c(O)c3C(=O)[C@]1(O[C@H]1C[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@](C)(O)[C@H](O)[C@@H](C)O4)[C@@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O1)C(=O)C(C(C)=O)=C(O)[C@H]2OC
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(CCCCCCCCC$6/11C$3/9)CC^SC^SO*2/15CC=^XCC^SOC/21$14/20O/19CC/25=O/18=O/15C($8/7)O/29=O(/5)O(/4)C_a3-c1_c3-d1
InChIInChI=1S/C47H62O21/c1-16-26(65-29-12-25(49)37(51)18(3)61-29)11-23-9-22-10-24-42(60-8)41(55)33(17(2)48)44(57)47(24,45(58)35(22)40(54)34(23)36(16)50)68-31-14-28(39(53)20(5)63-31)66-30-13-27(38(52)19(4)62-30)67-32-15-46(7,59)43(56)21(6)64-32/h9,11,18-21,24-25,27-32,37-39,42-43,49-56,59H,10,12-15H2,1-8H3/t18-,19-,20-,21-,24+,25-,27-,28-,29+,30+,31+,32+,37-,38+,39-,42+,43-,46+,47-/m1/s1
InChIKeyUAMBJRMXUKZHCK-PRUFDSPOSA-N
ChEBI Ontology
Outgoing Relation(s)
3A-Deolivosylpremithramycin B (CHEBI:81905) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
C18710KEGG COMPOUND