input word = C00049774

Metabolite InformationStructural formula
Name 3,23,24-Diketomelianin B
(-)-3,23,24-Diketomelianin B
Formula C41H54O9
Mw 690.37678332
CAS RN 201788-75-2
C_ID C00049774 ,
InChIKey QKZZJFYISQNFGX-JMJYFYETNA-N
InChICode InChI=1S/C41H54O9/c1-23(42)48-33-20-31-37(3,4)32(50-36(46)25-13-11-10-12-14-25)21-34(49-24(2)43)41(31,9)30-17-18-39(7)27(15-16-29(39)40(30,33)8)26-19-28(44)35(45)38(5,6)47-22-26/h10-14,16,26-27,30-34H,15,17-22H2,1-9H3/t26-,27+,30+,31+,32-,33-,34+,39+,40+,41-/m1/s1
SMILES C1[C@H]2[C@](C3=CC[C@H]([C@@]3(C1)C)[C@H]1COC(C(=O)C(=O)C1)(C)C)([C@@H](C[C@@H]1[C@@]2([C@H](C[C@H](C1(C)C)OC(=O)c1ccccc1)OC(=O)C)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia volkensii Ref.
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