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Substance Name: Fredericamycin B
RN: 80450-64-2
UNII: 6R0OG52S88
InChIKey: YNIOLMWTOALCPA-VNKDHWASSA-N

Note

  • From Streptomyces griseus.

Molecular Formula

  • C31-H23-N-O9

Molecular Weight

  • 553.5207
 
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Names and Synonyms

Name of Substance

  • Fredericamycin B

Synonyms

  • Fredericamycin B
  • Naphthaceno(2,1-g)isoquinoline-1,9,14(2H)-trione, 6,7-dihydro-8,10,13,15,16-pentahydroxy-11-methoxy-3-(1E,3E)-1,3-pentadien-1-yl-
  • UNII-6R0OG52S88

Registry Numbers

CAS Registry Number

  • 80450-64-2

FDA UNII

  • 6R0OG52S88

System Generated Number

  • 0080450642

Structure Descriptors

InChI

1S/C31H23NO9/c1-3-4-5-6-14-10-13-9-12-7-8-15-20(18(12)27(36)19(13)31(40)32-14)28(37)24-23(25(15)34)30(39)22-21(29(24)38)16(33)11-17(41-2)26(22)35/h3-6,9-11,33-37H,7-8H2,1-2H3,(H,32,40)/b4-3+,6-5+

InChIKey

YNIOLMWTOALCPA-VNKDHWASSA-N

Smiles

C/C=C/C=C/c1cc2cc3c(c(c2c(=O)[nH]1)O)-c4c(c(c5c(c4O)C(=O)c6c(cc(c(c6C5=O)O)OC)O)O)CC3