input word = C00046486

Metabolite InformationStructural formula
Name Ulmicin C
(-)-Ulmicin C
Formula C45H60O8
Mw 728.42881889
CAS RN 336621-24-0
C_ID C00046486 ,
InChIKey BRUCUXTUEIVGBU-NCFRBVTHNA-N
InChICode InChI=1S/C45H60O8/c1-25(2)29-16-19-42(5)24-36(53-39(49)26-10-13-28(46)14-11-26)45(8)30(37(29)42)23-33(52-40(50)27-12-15-31(47)32(22-27)51-9)38-43(6)20-18-35(48)41(3,4)34(43)17-21-44(38,45)7/h10-15,22,29-30,33-38,46-48H,1,16-21,23-24H2,2-9H3/t29-,30+,33+,34-,35-,36+,37-,38+,42+,43-,44+,45-/m0/s1
SMILES C1C[C@]2([C@@H]([C@@H]1C(=C)C)[C@@H]1[C@@]([C@@H](C2)OC(=O)c2ccc(cc2)O)([C@]2([C@H]([C@@H](C1)OC(=O)c1cc(c(cc1)O)OC)[C@@]1([C@@H](CC2)C([C@H](CC1)O)(C)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeUlmaceaeUlmus davidiana var.japonica Ref.
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