input word = C00031296

Metabolite InformationStructural formula
Name Saponaceol C
(-)-Saponaceol C
Formula C46H67NO11
Mw 809.47141199
CAS RN 771533-80-3
C_ID C00031296 ,
InChIKey MNLVSZIKPHHBBI-FKEJNJFJNA-N
InChICode InChI=1S/C46H67NO11/c1-41(2)33-17-16-29-30(22-34(49)46(8)28(19-20-45(29,46)7)27-15-18-35(42(3,4)54)57-39(27)52)44(33,6)23-32(48)38(41)58-37(51)25-43(5,55)24-36(50)47-31(40(53)56-9)21-26-13-11-10-12-14-26/h10-14,16,21,27-28,30,32-35,38-39,48-49,52,54-55H,15,17-20,22-25H2,1-9H3,(H,47,50)/b31-21-/t27-,28-,30+,32-,33+,34+,35-,38+,39+,43-,44-,45-,46-/m1/s1
SMILES [C@@H]1([C@@H](C([C@H]2[C@](C1)([C@@H]1C(=CC2)[C@@]2([C@@]([C@H](C1)O)([C@H](CC2)[C@@H]1[C@H](O[C@H](CC1)C(O)(C)C)O)C)C)C)(C)C)OC(=O)C[C@@](CC(=O)N/C(=C\c1ccccc1)/C(=O)OC)(O)C)O
Start Substs in Alk. Biosynthesis (Prediction) GGPP L-Asp L-His
Organism
Kingdom Family Species Reference
FungiTricholomataceaeTricholoma saponaceum Ref.
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