input word = C00042753

Metabolite InformationStructural formula
Name murucin 2
(-)-murucin 2
Formula C61H106O25
Mw 1238.70231894
CAS RN 864182-50-3
C_ID C00042753 ,
InChIKey RYIDWTWUNMIANO-VGPKNOIKNA-N
InChICode InChI=1S/C61H106O25/c1-8-11-13-14-15-16-19-22-26-30-40(64)81-54-48(72)52(84-61-56(47(71)50(34(5)75-61)80-39(63)10-3)85-57-46(70)44(68)43(67)38(32-62)79-57)35(6)76-59(54)83-51-36(7)77-60-55(49(51)73)82-41(65)31-27-23-20-17-18-21-25-29-37(28-24-12-9-2)78-58-53(86-60)45(69)42(66)33(4)74-58/h33-38,42-62,66-73H,8-32H2,1-7H3/t33-,34+,35+,36+,37+,38-,42-,43+,44+,45+,46-,47-,48-,49-,50+,51+,52+,53-,54-,55-,56-,57+,58+,59+,60+,61+/m1/s1
SMILES C1CCCCCCCC(=O)O[C@H]2[C@H](O[C@H]3[C@H](O[C@H](C1)CCCCC)O[C@@H]([C@H]([C@@H]3O)O)C)O[C@H]([C@@H]([C@H]2O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)OC(=O)CC)C)O)OC(=O)CCCCCCCCCCC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea murucoides Ref.
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