input word = C00046447

Metabolite InformationStructural formula
Name Synallactoside B2
Formula C60H94O26
Mw 1230.60333318
CAS RN 478700-16-2
C_ID C00046447 ,
InChIKey JYSTZZWMTXJPJT-KYZPRLLKNA-N
InChICode InChI=1S/C60H94O26/c1-25(2)19-28(79-27(4)62)20-59(9)36-14-17-58(8)30-11-12-35-56(5,6)37(15-16-57(35,7)29(30)13-18-60(36,58)55(73)86-59)82-54-49(39(66)34(24-77-54)81-53-42(69)40(67)38(65)33(21-61)80-53)85-52-43(70)41(68)46(26(3)78-52)83-51-45(72)48(32(64)23-76-51)84-50-44(71)47(74-10)31(63)22-75-50/h11,26,28-29,31-54,61,63-72H,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+,57-,58+,59+,60-/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)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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