input word = C00053861

Metabolite InformationStructural formula
Name Tribenzoylbalsaminol F
Formula C51H62O6
Mw 770.45463971
CAS RN 1352755-93-1
C_ID C00053861
InChIKey CBPYGZZVJLABTM-MXHWHTTGSA-N
InChICode InChI=1S/C51H62O6/c1-33(2)30-38(55-45(52)35-18-12-9-13-19-35)31-34(3)39-26-27-51(8)44-42(56-46(53)36-20-14-10-15-21-36)32-41-40(49(44,6)28-29-50(39,51)7)24-25-43(48(41,4)5)57-47(54)37-22-16-11-17-23-37/h9-23,30,32,34,38-40,42-44H,24-29,31H2,1-8H3/t34-,38+,39-,40-,42+,43+,44-,49+,50-,51+/m1/s1
SMILES CC(C)=C[C@@H](C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](OC(=O)c4ccccc4)C=C4[C@@H](CC[C@H](OC(=O)c5ccccc5)C4(C)C)[C@]3(C)CC[C@]12C)OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica balsamina Ref.
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