input word = C00042731

Metabolite InformationStructural formula
Name Messagenic acid G
Formula C30H46O4
Mw 470.33960996
CAS RN 96384-02-0
C_ID C00042731 ,
InChIKey MBAMDFUPHOFPJE-FXJLINCBNA-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/h19-22,24,31H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1
SMILES C=C(CO)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMelilotus messanensis Ref.
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