CHEBI:81905 - 3A-Deolivosylpremithramycin B

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ChEBI Name 3A-Deolivosylpremithramycin B
ChEBI ID CHEBI:81905
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C47H62O21
Net Charge 0
Average Mass 962.98260
Monoisotopic Mass 962.37836
InChI InChI=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
InChIKey UAMBJRMXUKZHCK-PRUFDSPOSA-N
SMILES CO[C@H]1[C@@H]2Cc3cc4cc(O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)c(C)c(O)c4c(O)c3C(=O)[C@]2(O[C@H]2C[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)O2)C(=O)C(C(C)=O)=C1O
ChEBI Ontology
Outgoing 3A-Deolivosylpremithramycin B (CHEBI:81905) is a oligosaccharide (CHEBI:50699)
Manual Xref Database
C18710 KEGG COMPOUND
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