input word = C00039718

Metabolite InformationStructural formula
Name Malleastrone B
(-)-Malleastrone B
Formula C33H40O10
Mw 596.2621475
CAS RN 1002300-10-8
C_ID C00039718 ,
InChIKey RDMOWPHFYJPTPP-NMYUHRTPNA-N
InChICode InChI=1S/C33H40O10/c1-8-16(2)25(37)41-24-22(36)23-28(4)11-9-20(35)29(5)15-40-32(26(28)29,42-17(3)34)27(38)31(23,7)33-21(43-33)13-19(30(24,33)6)18-10-12-39-14-18/h9-12,14,16,19,21-24,26,36H,8,13,15H2,1-7H3/t16-,19-,21+,22+,23+,24-,26+,28+,29-,30+,31-,32+,33+/m0/s1
SMILES [C@@]12([C@@H]3[C@@]([C@@H]4[C@@](C1=O)([C@]15[C@@]([C@H]([C@@H]4O)OC(=O)[C@@H](C)CC)([C@@H](C[C@H]1O5)c1ccoc1)C)C)(C=CC(=O)[C@@]3(CO2)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMalleastrum sp. Ref.
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