input word = C00048808

Metabolite InformationStructural formula
Name Parathiosteroid A
(+)-Parathiosteroid A
Formula C26H37NO3S
Mw 443.24941478
CAS RN 1063987-56-3
C_ID C00048808 ,
InChIKey XROBPOHDDGQXBF-HDZOYEHENA-N
InChICode InChI=1S/C26H37NO3S/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/h9,11,15-16,20-23H,5-8,10,12-14H2,1-4H3,(H,27,28)/t16-,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)CCC1=CC(=O)C=C[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg Cholesterol
Organism
Kingdom Family Species Reference
--Paragorgia sp. Ref.
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OrganismParagorgia sp.
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165