input word = C00036504

Metabolite InformationStructural formula
Name 2-O-n-Butyrylpseudomajucin
Formula C19H28O6
Mw 352.18858863
CAS RN 329695-80-9
C_ID C00036504 ,
InChIKey XFNNCCSGHVEVIE-YUSGSPOYNA-N
InChICode InChI=1S/C19H28O6/c1-10(2)15(21)24-13-6-19-16(5)9-23-18(22,12(16)4)8-17(19,11(13)3)7-14(20)25-19/h10-13,22H,6-9H2,1-5H3/t11-,12-,13-,16?,17+,18-,19-/m1/s1
SMILES [C@]12(OC[C@@]([C@@]34[C@@](C1)([C@@H]([C@@H](C3)OC(=O)C(C)C)C)CC(=O)O4)([C@H]2C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIlliciaceaeIllicium merrillianum Ref.
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OrganismIllicium merrillianum
ReferenceHuang,Phytochem.,55,(2000),883