input word = C00046448

Metabolite InformationStructural formula
Name Synallactoside C
Formula C61H96O27
Mw 1260.61389786
CAS RN 478700-32-2
C_ID C00046448 ,
InChIKey KRQLKDPCVRNXQZ-ARJBPMQINA-N
InChICode InChI=1S/C61H96O27/c1-25(2)19-28(80-27(4)64)20-60(9)36-14-17-59(8)30-11-12-35-57(5,6)37(15-16-58(35,7)29(30)13-18-61(36,59)56(75)88-60)84-55-50(40(68)34(24-78-55)83-53-43(71)41(69)38(66)32(21-62)81-53)87-52-44(72)42(70)47(26(3)79-52)85-51-45(73)48(31(65)23-77-51)86-54-46(74)49(76-10)39(67)33(22-63)82-54/h11,26,28-29,31-55,62-63,65-74H,1,12-24H2,2-10H3/t26-,28+,29-,31-,32-,33-,34-,35+,36-,37+,38+,39-,40+,41+,42+,43-,44-,45-,46-,47-,48+,49+,50-,51+,52+,53+,54+,55+,58-,59+,60+,61-/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)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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