input word = C00059514

Metabolite InformationStructural formula
Name 22beta-Acetoxyglycyrrhaldehyde
Formula C44H64O17
Mw 864.41435062
CAS RN 1262326-50-0
C_ID C00059514
InChIKey ZUJZTVOVDKEJKY-IMYIUREBSA-N
InChICode InChI=1S/C44H64O17/c1-19(46)57-25-17-40(4,18-45)16-21-20-15-22(47)34-42(6)11-10-24(39(2,3)23(42)9-12-44(34,8)43(20,7)14-13-41(21,25)5)58-38-33(29(51)28(50)32(60-38)36(55)56)61-37-30(52)26(48)27(49)31(59-37)35(53)54/h15,18,21,23-34,37-38,48-52H,9-14,16-17H2,1-8H3,(H,53,54)(H,55,56)/t21-,23-,24-,25+,26-,27-,28-,29-,30+,31-,32-,33+,34+,37-,38+,40+,41+,42-,43+,44+/m0/s1
SMILES CC(=O)OC1CC(C)(C=O)CC2C3=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza inflata Ref.
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OrganismGlycyrrhiza inflata
Referencehttps://doi.org/10.3390/molecules20046273