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Substance Name: Baumycin A2, 4-hydroxy-
ID: CR56717000
InChIKey: DNHXZQIEIKSDIK-KBKMHQOASA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C33-H41-N-O13

Molecular Weight

  • 659.6809
 
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Names and Synonyms

Synonym

  • 4-Hydroxybaumycin A2

Systematic Name

  • Baumycin A2, 4-hydroxy-

Registry Numbers

ID Number

  • NIOSH/CR5671700

System Generated Number

  • CR56717000

Structure Descriptors

InChI

1S/C33H41NO13/c1-13(36)8-22(44-14(2)12-35)47-32-15(3)45-23(9-19(32)34)46-21-11-33(43,16(4)37)10-18-25(21)31(42)27-26(29(18)40)28(39)17-6-5-7-20(38)24(17)30(27)41/h5-7,13-15,19,21-23,32,35-36,38,40,42-43H,8-12,34H2,1-4H3/t13?,14?,15-,19-,21-,22?,23-,32+,33-/m0/s1

InChIKey

DNHXZQIEIKSDIK-KBKMHQOASA-N

Smiles

CC(O)CC(OC(C)CO)O[C@@H]1[C@H](C)O[C@H](C[C@@H]1N)O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(O)c5C(=O)c4c(O)c23)C(=O)C