input word = C00048947

Metabolite InformationStructural formula
Name 3-Deoxymethylnimbidate
(+)-3-Deoxymethylnimbidate
Formula C27H36O6
Mw 456.25118888
CAS RN 209912-14-1
C_ID C00048947 ,
InChIKey NAXSSFQPEXJWGN-FPCHACNXNA-N
InChICode InChI=1S/C27H36O6/c1-14-16(15-7-9-31-12-15)10-17-21(14)27(4)18(11-20(29)30-5)26(3)19(28)6-8-25(2)13-32-22(23(25)26)24(27)33-17/h7,9,12,16-19,22-24,28H,6,8,10-11,13H2,1-5H3/t16-,17-,18-,19+,22-,23+,24-,25+,26+,27-/m1/s1
SMILES [C@H]12[C@]([C@@H]([C@@]3([C@H]4[C@H]1OC[C@@]4(CC[C@@H]3O)C)C)CC(=O)OC)(C1=C([C@@H](C[C@H]1O2)c1ccoc1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta excelsa Ref.
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OrganismAzadirachta excelsa
ReferenceCui,Phytochem.,47,(1998),1283