input word = C00048066

Metabolite InformationStructural formula
Name Pimelotide B
(+)-Pimelotide B
Formula C32H44O11
Mw 604.28836225
CAS RN 1202753-30-7
C_ID C00048066 ,
InChIKey SKISMDCNTKLSHQ-IJXXYDPYNA-N
InChICode InChI=1S/C32H44O11/c1-15(2)30-22(37-18(5)34)17(4)31-20-23-28(14-33,38-23)25(35)32-21(31)19(27(6,41-32)40-26(32)36)16(3)12-10-8-7-9-11-13-29(42-30,43-31)39-24(20)30/h16-17,19-25,33,35H,1,7-14H2,2-6H3/t16-,17+,19+,20+,21-,22+,23-,24+,25+,27-,28-,29+,30-,31+,32-/m0/s1
SMILES [C@]123O[C@@]45[C@H]6[C@@]7([C@@H]([C@@]8([C@H]([C@@H]4[C@H]([C@]([C@@H]([C@H]5C)OC(=O)C)(O1)C(=C)C)O2)O8)CO)O)O[C@@]([C@@H]6[C@H](CCCCCCC3)C)(OC7=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaePimelea elongata Ref.
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OrganismPimelea elongata
ReferenceHayes,J.Nat.Prod.,72,(2009),2081