input word = C00046485

Metabolite InformationStructural formula
Name Ulmicin B
(-)-Ulmicin B
Formula C37H54O5
Mw 578.39712483
CAS RN 336621-23-9
C_ID C00046485 ,
InChIKey CPDJEYUROFSDBM-UHMNEHNSNA-N
InChICode InChI=1S/C37H54O5/c1-21(2)24-13-16-34(5)20-29(40)37(8)25(30(24)34)19-26(42-32(41)22-9-11-23(38)12-10-22)31-35(6)17-15-28(39)33(3,4)27(35)14-18-36(31,37)7/h9-12,24-31,38-40H,1,13-20H2,2-8H3/t24-,25+,26+,27-,28-,29+,30-,31+,34+,35-,36+,37-/m0/s1
SMILES C1C[C@]2([C@@H]([C@@H]1C(=C)C)[C@@H]1[C@@]([C@@H](C2)O)([C@]2([C@H]([C@@H](C1)OC(=O)c1ccc(cc1)O)[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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OrganismUlmus davidiana var.japonica
ReferenceLee,J.Nat.Prod.,64,(2001),328