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@H]12[C@@](CC[C@@]3([C@H]1[C@@H](CC3)C(=C)CO)C(=O)O)([C@]1([C@H](CC2)[C@@]2([C@@H](CC1)C(C(=O)CC2)(C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMelilotus messanensis Ref.
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OrganismMelilotus messanensis
ReferenceMacias,Phytochem.,49,(1998),709