input word = C00031295

Metabolite InformationStructural formula
Name Saponaceol B
(-)-Saponaceol B
Formula C46H69NO12
Mw 827.48197668
CAS RN 771533-78-9
C_ID C00031295 ,
InChIKey CACFVBDUMQSPSW-SVFDATNLNA-N
InChICode InChI=1S/C46H69NO12/c1-41(2)31-17-16-28-29(21-32(49)46(8)27(19-20-45(28,46)7)26-15-18-33(42(3,4)55)58-39(26)53)44(31,6)22-30(48)38(41)59-35(51)24-43(5,56)23-34(50)47-36(40(54)57-9)37(52)25-13-11-10-12-14-25/h10-14,16,26-27,29-33,36-39,48-49,52-53,55-56H,15,17-24H2,1-9H3,(H,47,50)/t26-,27-,29+,30-,31+,32+,33-,36+,37-,38+,39+,43-,44-,45-,46-/m1/s1
SMILES COC(=O)C(NC(=O)CC(C)(O)CC(=O)O[C@H]1[C@H](O)C[C@]2(C)[C@H]3C[C@H](O)[C@@]4(C)[C@@H]([C@H]5CC[C@H](C(C)(C)O)OC5O)CC[C@]4(C)C3=CC[C@H]2C1(C)C)C(O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
FungiTricholomataceaeTricholoma saponaceum Ref.
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