input word = C00046487

Metabolite InformationStructural formula
Name Ulmicin D
(-)-Ulmicin D
Formula C46H62O9
Mw 758.43938358
CAS RN 336621-25-1
C_ID C00046487 ,
InChIKey KXJAZRZJROOYLF-HVVULTPANA-N
InChICode InChI=1S/C46H62O9/c1-25(2)28-15-18-43(5)24-37(55-41(51)27-12-14-31(48)33(22-27)53-10)46(8)29(38(28)43)23-34(54-40(50)26-11-13-30(47)32(21-26)52-9)39-44(6)19-17-36(49)42(3,4)35(44)16-20-45(39,46)7/h11-14,21-22,28-29,34-39,47-49H,1,15-20,23-24H2,2-10H3/t28-,29+,34+,35-,36-,37+,38-,39+,43+,44-,45+,46-/m0/s1
SMILES C1C[C@]2([C@@H]([C@@H]1C(=C)C)[C@@H]1[C@@]([C@@H](C2)OC(=O)c2cc(c(cc2)O)OC)([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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