input word = C00039853

Metabolite InformationStructural formula
Name Nimbolinin B
(-)-Nimbolinin B
Formula C35H46O10
Mw 626.30909769
CAS RN 76689-93-5
C_ID C00039853 ,
InChIKey DZTGQXCOIHPUCM-QZOIVYAYNA-N
InChICode InChI=1S/C35H46O10/c1-9-17(2)32(39)45-31-23-16-41-35(8)27(43-20(5)37)14-26(42-19(4)36)33(6,30(23)35)25-13-28(38)44-24-12-22(21-10-11-40-15-21)18(3)29(24)34(25,31)7/h9-11,15,22-28,30-31,38H,12-14,16H2,1-8H3/b17-9+/t22-,23-,24+,25-,26+,27-,28-,30-,31-,33+,34-,35-/m1/s1
SMILES [C@]12([C@H](C[C@@H](O[C@@H]3C1=C([C@@H](C3)c1cocc1)C)O)[C@@]1([C@H]3[C@H]([C@H]2OC(=O)/C(=C/C)/C)CO[C@@]3([C@@H](C[C@@H]1OC(=O)C)OC(=O)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
PlantaeMeliaceaeMelia toosendan Ref.
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