input word = C00046445

Metabolite InformationStructural formula
Name Synallactoside A2
(-)-Synallactoside A2
Formula C66H104O30
Mw 1376.66124199
CAS RN 478698-80-5
C_ID C00046445 ,
InChIKey OLFFOVXPJYCGNU-CNZBTVRZNA-N
InChICode InChI=1S/C66H104O30/c1-27(2)20-30(88-29(4)68)21-65(9)39-15-18-64(8)32-12-13-38-62(5,6)40(16-17-63(38,7)31(32)14-19-66(39,64)61(80)96-65)91-60-54(42(73)37(26-86-60)90-59-48(79)53(41(72)36(22-67)89-59)94-56-46(77)51(82-11)34(70)24-84-56)95-58-44(75)43(74)49(28(3)87-58)92-57-47(78)52(35(71)25-85-57)93-55-45(76)50(81-10)33(69)23-83-55/h12,28,30-31,33-60,67,69-79H,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+,63-,64+,65+,66-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](OC1)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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