BREVETOXIN PBTX-6_ChemCD

BREVETOXIN PBTX-6

basic_info
Product_Name：	BREVETOXIN PBTX-6
EnglishSynonyms：	BREVETOXIN PBTX-6
pro_mdlNumber：	MFCD00236464
pro_acceptors：	15
pro_donors：	1
pro_smile：	C[C@@H]1C[C@H]2[C@@H](C[C@]3([C@H](O2)C[C@H]4[C@H](O3)C(=CC(=O)O4)C)C)O[C@@H]5[C@@H]1O[C@H]6CC7[C@](C[C@@H]8[C@@](O7)(CC9C(O9)[C@@H]1[C@@H](O8)C[C@@H]2[C@@H](O1)C[C@@H]1[C@@](O2)([C@H](C[C@H](O1)CC(=C)C=O)O)C)C)(O[C@@]6(CC5)C)C
InChi：	InChI=1S/C50H70O15/c1-23(22-51)11-26-14-35(52)50(8)39(54-26)16-29-30(62-50)15-31-44(59-29)45-34(60-45)20-48(6)40(57-31)21-49(7)38(63-48)18-37-46(4,65-49)10-9-27-42(61-37)24(2)12-28-33(55-27)19-47(5)36(56-28)17-32-43(64-47)25(3)13-41(53)58-32/h13,22,24,26-40,42-45,52H,1,9-12,14-21H2,2-8H3/t24-,26-,27+,28+,29+,30-,31+,32+,33-,34?,35+,36-,37+,38?,39-,40-,42-,43-,44+,45?,46-,47+,48+,49+,50+/m1/s1
InChiKey：	InChIKey=XXPMBLWPRXRSBN-RYJJQQPMSA-N

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