input word = C00046446

Metabolite InformationStructural formula
Name Synallactoside B1
(-)-Synallactoside B1
Formula C67H106O31
Mw 1406.67180667
CAS RN 478699-47-7
C_ID C00046446 ,
InChIKey AFUKQDJQKKVYHP-FIRNYYRHNA-N
InChICode InChI=1S/C67H106O31/c1-27(2)20-30(89-29(4)70)21-66(9)39-15-18-65(8)32-12-13-38-63(5,6)40(16-17-64(38,7)31(32)14-19-67(39,65)62(82)98-66)93-61-55(43(75)37(26-87-61)92-59-49(81)54(42(74)36(23-69)90-59)96-56-46(78)51(83-10)33(71)24-85-56)97-58-45(77)44(76)50(28(3)88-58)94-57-47(79)52(34(72)25-86-57)95-60-48(80)53(84-11)41(73)35(22-68)91-60/h12,28,30-31,33-61,68-69,71-81H,1,13-26H2,2-11H3/t28-,30+,31-,33-,34-,35-,36-,37-,38+,39-,40+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,51+,52+,53+,54+,55-,56+,57+,58+,59+,60+,61+,64-,65+,66+,67-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1[C@H](O)CO[C@H]([C@@H]1O)O[C@H]1[C@H](O)[C@H]([C@@H](O[C@@H]1C)O[C@H]1[C@@H](OC[C@H]([C@@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)OC)O)O)CO)O[C@H]1CC[C@]2([C@H](C1(C)C)CC=C1[C@H]2CC[C@@]23[C@]1(CC[C@@H]2[C@@](OC3=O)(C[C@@H](OC(=O)C)CC(=C)C)C)C)C)O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Synallactes nozawai Ref.
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