input word = C00038669

Metabolite InformationStructural formula
Name Butyroside C
Formula C58H92O28
Mw 1236.57751236
CAS RN 159803-58-4
C_ID C00038669 ,
InChIKey OMFMRYFFZXXOPU-UHFFFAOYNA-N
InChICode InChI=1S/C58H92O28/c1-21-30(64)32(66)36(70)48(79-21)82-41-28(63)19-77-47(39(41)73)81-40-22(2)80-49(38(72)35(40)69)84-43-31(65)27(62)18-78-51(43)86-52(76)58-13-11-53(3,4)15-24(58)23-9-10-29-54(5)16-26(61)45(85-50-37(71)33(67)34(68)42(83-50)46(74)75)55(6,20-59)44(54)25(60)17-57(29,8)56(23,7)12-14-58/h9,21-22,24-45,47-51,59-73H,10-20H2,1-8H3,(H,74,75)/t21-,22-,24+,25-,26+,27+,28+,29-,30-,31+,32-,33+,34-,35-,36+,37-,38+,39+,40+,41+,42+,43+,44+,45-,47-,48-,49-,50+,51+,54+,55+,56-,57+,58+/m0/s1
SMILES [C@@H]1([C@@H]([C@@]([C@H]2[C@](C1)([C@H]1[C@@](C[C@@H]2O)([C@@]2(C(=CC1)[C@@H]1[C@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1OC[C@H]([C@H]([C@H]1O[C@@H]1O[C@H]([C@H]([C@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@H]([C@H]1O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)C)O)O)C)C)C)(CO)C)O[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C(=O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeMadhuca butyracea Ref.
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