input word =
C00053464
Metabolite Information
Structural formula
Name
Catsanogenin
Medicagenic acid
Formula
C30H46O6
Mw
502.3294392
CAS RN
599-07-5
C_ID
C00053464
InChIKey
IDGXIXSKISLYAC-WNTKNEGGSA-N
InChICode
InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1
SMILES
CC1(C)CC[C@]2(C(O)=O)CC[C@@]3(C)[C@]4(C)CC[C@@]5([H])[C@@](C(O)=O)(C)[C@@H](O)[C@@H](O)C[C@]5(C)[C@@]4([H])CC=C3[C@]2([H])C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom
Family
Species
Reference
Plantae
Fabaceae
Medicago arborea
Ref.
Plantae
Fabaceae
Medicago sativa
Ref.
Plantae
Fabaceae
Medicago spp.
Ref.
Plantae
Fabaceae
Medicago truncatula
Ref.
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