input word = C00046684

Metabolite InformationStructural formula
Name Comnostin E
(+)-Comnostin E
Formula C27H38O4
Mw 426.2770097
CAS RN 263842-20-2
C_ID C00046684 ,
InChIKey PCLWWUDFTVTRTJ-LVELOPEQNA-N
InChICode InChI=1S/C27H38O4/c1-16-10-12-26(4)22-9-7-20(17(2)28)25(22,3)13-11-23(26)27(16,5)15-19-14-18(24(30)31)6-8-21(19)29/h6,8,14,16,20,22-23,29H,7,9-13,15H2,1-5H3,(H,30,31)/t16-,20+,22-,23-,25-,26-,27-/m1/s1
SMILES CC(=O)[C@@H]1CC[C@@H]2[C@@]3(C)CC[C@@H](C)[C@@](C)(Cc4cc(C(=O)O)ccc4O)[C@@H]3CC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaNostocaceaeNostoc commune Ref.
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