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Substance Name: Granaticin B
RN: 19879-03-9
UNII: JS606MEA30
InChIKey: HLNZYALGGXMQQC-VHAJSWNUSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C28-H30-O12

Molecular Weight

  • 558.533
 
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Names and Synonyms

Name of Substance

  • Granaticin B

Synonym

  • UNII-JS606MEA30

Systematic Name

  • Granaticin B

Registry Numbers

CAS Registry Number

  • 19879-03-9

FDA UNII

  • JS606MEA30

System Generated Number

  • 0019879039

Structure Descriptors

InChI

1S/C28H30O12/c1-8-11(29)4-5-16(37-8)39-14-6-12-18-22(28(14,35)10(3)38-12)26(34)20-19(24(18)32)25(33)21-17(23(20)31)9(2)36-13-7-15(30)40-27(13)21/h8-14,16,27,29,32,34-35H,4-7H2,1-3H3/t8-,9-,10+,11-,12+,13-,14+,16-,27+,28-/m0/s1

InChIKey

HLNZYALGGXMQQC-VHAJSWNUSA-N

Smiles

C[C@@H]1O[C@H](CC[C@@H]1O)O[C@@H]2C[C@H]3O[C@H](C)[C@@]2(O)c4c(O)c5C(=O)C6=C([C@@H]7OC(=O)C[C@@H]7O[C@H]6C)C(=O)c5c(O)c34