input word = C00052873

Metabolite InformationStructural formula
Name Melianthugenin
Bersaldegenin 1,3,5-orthoacetate
Formula C26H32O7
Mw 456.21480338
CAS RN 23044-66-8
C_ID C00052873
InChIKey QMZMTFLDQTWANC-PYFUVDDASA-N
InChICode InChI=1S/C26H32O7/c1-22-8-5-18-19(26(22,29)10-7-17(22)15-3-4-21(28)30-13-15)6-9-24-12-16-11-20(25(18,24)14-27)32-23(2,31-16)33-24/h3-4,13-14,16-20,29H,5-12H2,1-2H3/t16-,17+,18-,19+,20+,22+,23+,24-,25-,26-/m0/s1
SMILES C[C@@]1(O2)O[C@@]([H])(C3)C[C@@]2(CC[C@]4([H])[C@]5([H])CC[C@@]6(C)[C@]4(O)CC[C@@H]6C7=COC(C=C7)=O)[C@]5(C=O)[C@]3([H])O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeBryophyllum pinnatum Ref.
PlantaeMelianthaceaeMelianthus major Ref.
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