input word = C00043181

Metabolite InformationStructural formula
Name 3alpha-E-Feruloyltaraxerol
(-)-3alpha-E-Feruloyltaraxerol
Formula C40H58O4
Mw 602.43351034
CAS RN 696620-04-9
C_ID C00043181 ,
InChIKey HKZGZNSIWGBZTM-AYDBZORGNA-N
InChICode InChI=1S/C40H58O4/c1-35(2)22-23-37(5)18-14-30-39(7)19-15-29-36(3,4)33(44-34(42)13-11-26-10-12-27(41)28(24-26)43-9)17-21-38(29,6)31(39)16-20-40(30,8)32(37)25-35/h10-14,24,29,31-33,41H,15-23,25H2,1-9H3/b13-11+/t29-,31+,32+,33+,37-,38+,39-,40+/m0/s1
SMILES C1[C@@]2([C@H](C([C@@H](C1)OC(=O)/C=C/c1ccc(c(c1)OC)O)(C)C)CC[C@@]1([C@@H]2CC[C@@]2(C1=CC[C@@]1([C@H]2CC(CC1)(C)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhizophoraceaeBruguiera cylindrica Ref.
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OrganismBruguiera cylindrica
ReferenceLaphookhieo,J.Nat.Prod.,67,(2004),886