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Substance Name: Angelmicin B
RN: 151687-86-4
InChIKey: XGHSXRXEPCUHTN-UHFFFAOYSA-N

Note

  • From Microbispora sp.AA9966; protein tyrosine kinase inhibitor.

Molecular Weight

  • 1725.78
 
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Names and Synonyms

Name of Substance

  • Angelmicin B

Systematic Name

  • Angelmicin B

Registry Numbers

CAS Registry Number

  • 151687-86-4

System Generated Number

  • 0151687864

Structure Descriptors

InChI

1S/C85H112O37/c1-14-22-82(104)78(120-45-18-16-43(30(3)110-45)116-47-20-24-80(102,34(7)86)36(9)114-47)68(98)71(118-49-28-41(88)60(90)32(5)112-49)40-27-38-26-39-52(62(92)51(38)76(100)84(40,82)105)63(93)56(74(109-13)70(39)107-11)55-64(94)53-54(67(97)73(55)108-12)65(95)57-58(66(53)96)77(101)85(106)59-72(57)122-83(85,23-15-2)79(69(99)75(59)119-50-29-42(89)61(91)33(6)113-50)121-46-19-17-44(31(4)111-46)117-48-21-25-81(103,35(8)87)37(10)115-48/h26,30-33,36-37,40-50,59-61,68-69,71-72,75,78-79,88-93,95-96,98-99,102-106H,14-25,27-29H2,1-13H3

InChIKey

XGHSXRXEPCUHTN-UHFFFAOYSA-N

Smiles

O[C@@H]1[C@@H](O)C[C@@H](O[C@@H]1C)O[C@@H]1[C@@H]2Cc3cc4c(OC)c(OC)c(c(O)c4c(O)c3C(=O)[C@@]2(O)[C@@](CCC)(O)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O[C@@H]3O[C@@H](C)[C@@](C(C)=O)(O)CC3)CC2)[C@@H]1O)C=1C(=O)c2c(O)c3C(=O)[C@@]4(O)[C@@]5(CCC)[C@@H](O[C@@H]6O[C@@H](C)[C@@H](O[C@@H]7O[C@@H](C)[C@@](O)(CC7)C(C)=O)CC6)[C@@H](O)[C@@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)C6)[C@@H]4[C@@H](O5)c3c(O)c2C(=O)C1OC