input word = C00046444

Metabolite InformationStructural formula
Name Synallactoside A1
Formula C55H86O22
Mw 1098.56107443
CAS RN 478696-84-3
C_ID C00046444 ,
InChIKey IAKMGUDFKFAMST-GNKQTFQVNA-N
InChICode InChI=1S/C55H86O22/c1-24(2)19-27(71-26(4)57)20-54(9)34-14-17-53(8)29-11-12-33-51(5,6)35(15-16-52(33,7)28(29)13-18-55(34,53)50(66)77-54)73-49-45(36(60)30(58)22-69-49)76-47-39(63)38(62)42(25(3)70-47)74-46-40(64)43(31(59)23-68-46)75-48-41(65)44(67-10)37(61)32(21-56)72-48/h11,25,27-28,30-49,56,58-65H,1,12-23H2,2-10H3/t25-,27+,28-,30+,31-,32-,33+,34-,35+,36+,37-,38+,39-,40-,41-,42-,43+,44+,45-,46+,47+,48+,49+,52-,53+,54+,55-/m1/s1
SMILES C=C(C)C[C@@H](C[C@]1(C)OC(=O)[C@]23CC[C@@H]4C(=CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OCC(O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]2(C)CC[C@@H]31)OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Synallactes nozawai Ref.
zoom in