input word = C00046187

Metabolite InformationStructural formula
Name Nanjiol A
(+)-Nanjiol A
Formula C31H46O6
Mw 514.3294392
CAS RN 473739-38-7
C_ID C00046187 ,
InChIKey SDZLLHVVNDYMTJ-PIFGAJJZNA-N
InChICode InChI=1S/C31H46O6/c1-18(2)9-8-13-30(6,35)28-26(36-19(3)32)16-25-23-11-10-21-15-22(34)12-14-29(21,5)24(23)17-27(31(25,28)7)37-20(4)33/h12,14-15,18,23-28,35H,8-11,13,16-17H2,1-7H3/t23-,24+,25+,26+,27-,28-,29-,30+,31-/m1/s1
SMILES CC(=O)O[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@]2(C)[C@H]1[C@@](C)(O)CCCC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Nephthea bayeri Ref.
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