input word = C00046682

Metabolite InformationStructural formula
Name Comnostin C
(+)-Comnostin C
Formula C27H38O5
Mw 442.27192432
CAS RN 263842-18-8
C_ID C00046682 ,
InChIKey VEXFNNZBZUDQNY-JMRBGWECNA-N
InChICode InChI=1S/C27H38O5/c1-16-8-11-24(2)20(9-12-26(4)21(24)10-13-27(26,5)23(31)32)25(16,3)15-18-14-17(22(29)30)6-7-19(18)28/h6-7,14,16,20-21,28H,8-13,15H2,1-5H3,(H,29,30)(H,31,32)/t16-,20+,21-,24+,25-,26-,27+/m1/s1
SMILES C[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]3(C)C(=O)O)[C@]1(C)Cc1cc(C(=O)O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaNostocaceaeNostoc commune Ref.
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