input word = C00042730

Metabolite InformationStructural formula
Name Messagenic acid F
Formula C30H46O4
Mw 470.33960996
CAS RN 167101-66-8
C_ID C00042730 ,
InChIKey OTNMMCVDNMEIGO-VIXGVLKJNA-N
InChICode InChI=1S/C30H46O4/c1-18(17-31)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-27(4)12-11-23(32)26(2,3)21(27)10-13-29(22,28)6/h17,19-24,32H,1,7-16H2,2-6H3,(H,33,34)/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1
SMILES [C@H]12[C@@](CC[C@@]3([C@H]1[C@@H](CC3)C(=C)C=O)C(=O)O)([C@]1([C@H](CC2)[C@@]2([C@@H](CC1)C([C@H](CC2)O)(C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMelilotus messanensis Ref.
zoom in