input word = C00050356

Metabolite InformationStructural formula
Name Elgonica-dimer B
Formula C36H30O14
Mw 686.16355567
CAS RN 132339-29-8
C_ID C00050356 ,
InChIKey SMPRHMOBCJYYJC-UHFFFAOYNA-N
InChICode InChI=1S/C35H30O14/c36-10-13-6-16-24(21(40)8-13)29(45)25-15(26(16)42)4-5-17(27(25)43)35(34-31(47)30(46)28(44)23(12-38)48-34)18-2-1-3-20(39)32(18)49-33-19(35)7-14(11-37)9-22(33)41/h1-9,23,28,30-31,34,36-41,43-44,46-47H,10-12H2/t23-,28-,30+,31-,34-,35-/m0/s1
SMILES c12c(Oc3c([C@@]1([C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)c1c(c4c(cc1)C(=O)c1c(C4=O)c(cc(c1)CO)O)O)cccc3O)c(cc(c2)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe arborescens Ref.
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