input word = C00056706

Metabolite InformationStructural formula
Name Glyuranolide
Formula C31H44O6
Mw 512.31378914
CAS RN 123914-44-3
C_ID C00056706
InChIKey MKDSBDQLSLPNOQ-ADTJVYGVSA-N
InChICode InChI=1S/C31H44O6/c1-26(2)20-8-11-30(6)23(29(20,5)10-9-21(26)33)19(32)14-17-18-15-27(3)16-22(37-24(27)34)28(18,4)12-13-31(17,30)25(35)36-7/h14,18,20-23,33H,8-13,15-16H2,1-7H3/t18-,20-,21-,22-,23+,27-,28+,29-,30+,31+/m0/s1
SMILES COC(=O)[C@@]12CC[C@@]3(C)[C@@H]4C[C@](C)(C[C@H]3C1=CC(=O)[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C)C(=O)O4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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