input word = C00040896

Metabolite InformationStructural formula
Name Beciumecine 2
(-)-Beciumecine 2
Formula C58H94O28
Mw 1238.59316242
CAS RN 220788-71-6
C_ID C00040896 ,
InChIKey CKVFGINJVRRIIH-JGYNWBQZNA-N
InChICode InChI=1S/C58H94O28/c1-22-32(66)35(69)38(72)48(79-22)83-43-29(65)19-77-47(41(43)75)82-42-23(2)80-49(40(74)37(42)71)84-44-33(67)28(64)18-78-51(44)86-52(76)57-12-10-53(3,4)14-25(57)24-8-9-31-54(5)15-27(63)46(85-50-39(73)36(70)34(68)30(17-59)81-50)58(20-60,21-61)45(54)26(62)16-56(31,7)55(24,6)11-13-57/h8,22-23,25-51,59-75H,9-21H2,1-7H3/t22-,23-,25-,26+,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44+,45+,46-,47-,48-,49-,50-,51-,54+,55+,56+,57-/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]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)O)O)O)C)C)C)(CO)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLamiaceaeBecium grandiflorum var.obovatum Ref.
zoom in