input word = C00039719

Metabolite InformationStructural formula
Name Malleastrone C
(-)-Malleastrone C
Formula C32H40O11
Mw 600.25706212
CAS RN 1002300-11-9
C_ID C00039719 ,
InChIKey WJTGTEMWMHUCEK-ZYIVHHCFNA-N
InChICode InChI=1S/C32H40O11/c1-14(2)24(37)41-23-21(36)22-28(5)19(35)11-18(34)27(4)13-40-31(25(27)28,42-15(3)33)26(38)30(22,7)32-20(43-32)10-17(29(23,32)6)16-8-9-39-12-16/h8-9,12,14,17,19-23,25,35-36H,10-11,13H2,1-7H3/t17-,19+,20+,21+,22+,23-,25-,27-,28+,29+,30-,31+,32+/m0/s1
SMILES CC(=O)O[C@]12OC[C@@]3(C)C(=O)C[C@@H](O)[C@@](C)([C@@H]13)[C@H]1[C@@H](O)[C@H](OC(=O)C(C)C)[C@@]3(C)[C@H](c4ccoc4)C[C@H]4O[C@]43[C@]1(C)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMalleastrum sp. Ref.
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OrganismMalleastrum sp.
ReferenceMurphy,J.Nat.Prod.,71,(2008),325