input word = C00053764

Metabolite InformationStructural formula
Name Salannol 3-acetate
Formula C34H46O9
Mw 598.31418307
CAS RN 120462-58-0
C_ID C00053764
InChIKey MGNBYZGLBGZLSJ-RMXSUMFLSA-N
InChICode InChI=1S/C34H46O9/c1-17(2)11-27(37)43-25-14-24(41-19(4)35)32(5)16-40-29-30(32)33(25,6)23(13-26(36)38-8)34(7)28-18(3)21(20-9-10-39-15-20)12-22(28)42-31(29)34/h9-10,15,17,21-25,29-31H,11-14,16H2,1-8H3/t21-,22-,23-,24-,25+,29-,30+,31-,32-,33+,34-/m1/s1
SMILES COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(=O)CC(C)C)[C@@]1(C)[C@@H]23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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