input word = C00048809

Metabolite InformationStructural formula
Name Parathiosteroid B
(+)-Parathiosteroid B
Formula C26H39NO3S
Mw 445.26506485
CAS RN 1063987-58-5
C_ID C00048809 ,
InChIKey YCNKTCKWWJKFGH-UCHXMBFYNA-N
InChICode InChI=1S/C26H39NO3S/c1-16(24(30)31-14-13-27-17(2)28)21-7-8-22-20-6-5-18-15-19(29)9-11-25(18,3)23(20)10-12-26(21,22)4/h9,11,16,18,20-23H,5-8,10,12-15H2,1-4H3,(H,27,28)/t16-,18-,20-,21+,22-,23-,25-,26-/m0/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@@](C1)([C@H](CC3)[C@H](C)C(=O)SCCNC(=O)C)C)CC[C@@H]1[C@@]2(C=CC(=O)C1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg Cholesterol
Organism
Kingdom Family Species Reference
--Paragorgia sp. Ref.
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