input word = C00054268

Metabolite InformationStructural formula
Name 9(11)-Dehydroglycyrrhetic acid
Formula C30H46O3
Mw 454.34469533
CAS RN 14884-88-9
C_ID C00054268
InChIKey DPWVNICGMWYCAP-KVIBWAOPSA-N
InChICode InChI=1S/C30H46O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8-9,20-21,23,31H,10-18H2,1-7H3,(H,32,33)/t20-,21-,23-,26+,27-,28-,29+,30+/m0/s1
SMILES CC1(C)[C@@H](O)CC[C@]2(C)C3=CC=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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