input word = C00039717

Metabolite InformationStructural formula
Name Malleastrone A
(-)-Malleastrone A
Formula C32H38O10
Mw 582.24649744
CAS RN 1002300-09-5
C_ID C00039717 ,
InChIKey JIUKIVAGRWWTFK-BOZNDBRKNA-N
InChICode InChI=1S/C32H38O10/c1-15(2)24(36)40-23-21(35)22-27(4)10-8-19(34)28(5)14-39-31(25(27)28,41-16(3)33)26(37)30(22,7)32-20(42-32)12-18(29(23,32)6)17-9-11-38-13-17/h8-11,13,15,18,20-23,25,35H,12,14H2,1-7H3/t18-,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[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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