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Substance Name: 2'-Demethylbenanomicin A
RN: 133806-63-0
InChIKey: IHDSFXZBMQANRD-UHFFFAOYSA-N

Note

  • From Actinomadura sp. MH193-16F4.

Molecular Weight

  • 813.714
 
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Names and Synonyms

  • 2'-Demethylbenanomicin A

Registry Numbers

CAS Registry Number

  • 133806-63-0

System Generated Number

  • 0133806630

Structure Descriptors

InChI

1S/C38H39NO19/c1-10-4-16-23(30(49)20(10)36(53)39-8-19(42)43)22-14(7-15-24(31(22)50)27(46)13-5-12(54-3)6-17(40)21(13)26(15)45)28(47)34(16)57-38-33(52)35(25(44)11(2)56-38)58-37-32(51)29(48)18(41)9-55-37/h4-7,11,18,25,28-29,32-35,37-38,40-41,44,47-52H,8-9H2,1-3H3,(H,39,53)(H,42,43)

InChIKey

IHDSFXZBMQANRD-UHFFFAOYSA-N

Smiles

O[C@@H]1[C@@H](O)[C@@H](CO[C@@H]1O[C@@H]1[C@@H]([C@@H](O[C@@H]2[C@@H](O)c3cc4c(C(=O)c5cc(OC)cc(O)c5C4=O)c(O)c3c3c2cc(c(c3O)C(=O)NCC(O)=O)C)O[C@@H]([C@@H]1O)C)O)O