Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
L9B5RW
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Ligand Name |
Montbretin A
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Synonyms |
Montbretin A; Q27453900
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Structure |
Download2D MOL
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Formula |
C53H64O33
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Canonical SMILES |
CC1C(C(C(C(O1)OC2COC(C(C2O)O)OC3=C(C=C(C=C3O)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)OC6C(C(C(C(O6)C)O)O)OC7C(C(C(C(O7)COC(=O)C=CC8=CC(=C(C=C8)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)O
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InChI |
1S/C53H64O33/c1-15-31(62)37(68)42(73)50(77-15)81-28-14-76-49(41(72)35(28)66)83-45-23(59)8-18(9-24(45)60)44-46(36(67)30-22(58)10-19(55)11-25(30)79-44)84-52-47(39(70)32(63)16(2)78-52)86-53-48(85-51-43(74)38(69)33(64)26(12-54)80-51)40(71)34(65)27(82-53)13-75-29(61)6-4-17-3-5-20(56)21(57)7-17/h3-11,15-16,26-28,31-35,37-43,47-60,62-66,68-74H,12-14H2,1-2H3/b6-4+/t15-,16-,26+,27+,28+,31-,32-,33+,34+,35-,37+,38-,39+,40-,41+,42+,43+,47+,48+,49-,50-,51-,52-,53-/m0/s1
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InChIKey |
FHVDXUPJFGRQLV-OWPXYNISSA-N
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PubChem Compound ID |
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