input word = C00050936

Metabolite InformationStructural formula
Name Isoglabrolide
Formula C30H44O4
Mw 468.32395989
CAS RN 10376-64-4
C_ID C00050936
InChIKey NCFVZZZXSIOSQB-XQDNEWBUNA-N
InChICode InChI=1S/C30H44O4/c1-24(2)19-8-11-29(7)22(27(19,5)10-9-21(24)32)18(31)16-20-28(29,6)15-14-26(4)13-12-25(3)17-30(20,26)34-23(25)33/h16,19,21-22,32H,8-15,17H2,1-7H3/t19-,21-,22+,25+,26+,27-,28+,29+,30-/m0/s1
SMILES CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@]56C[C@@](C)(CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12)C(=O)O6
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza glabra Ref.
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OrganismGlycyrrhiza glabra
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)