input word = C00054323

Metabolite InformationStructural formula
Name 1'-O-Acetylpaxilline
Formula C29H35NO5
Mw 477.25152324
CAS RN 121998-08-1
C_ID C00054323
InChIKey OHPVFSRTGKOAHP-FPCGACKZSA-N
InChICode InChI=1S/C29H35NO5/c1-16(31)35-26(2,3)25-22(32)15-20-23(34-25)11-12-27(4)28(5)17(10-13-29(20,27)33)14-19-18-8-6-7-9-21(18)30-24(19)28/h6-9,15,17,23,25,30,33H,10-14H2,1-5H3/t17-,23-,25-,27+,28+,29+/m0/s1
SMILES CC(=O)OC(C)(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Emericella striata Ref.
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OrganismEmericella striata
ReferenceCole, R.J. et al., Can. J. Microbiol., 1974, 20, 1159 (isol, uv, ir, pmr, ms)