input word = C00053378

Metabolite InformationStructural formula
Name isosalanninolide
Formula C34H44O11
Mw 628.28836225
CAS RN 202119-70-8
C_ID C00053378
InChIKey DBVPIKMXISBZQF-CNHSRMBCSA-N
InChICode InChI=1S/C34H44O11/c1-9-15(2)30(38)44-23-13-22(42-17(4)35)32(5)14-41-27-28(32)33(23,6)21(12-24(36)40-8)34(7)26-16(3)18(10-20(26)43-29(27)34)19-11-25(37)45-31(19)39/h9,11,18,20-23,27-29,31,39H,10,12-14H2,1-8H3/b15-9+/t18-,20-,21-,22-,23+,27-,28+,29-,31?,32-,33+,34-/m1/s1
SMILES C/C=C(C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5C[C@@H](C6=CC(=O)OC6O)C(C)=C5[C@@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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