input word = C00056378

Metabolite InformationStructural formula
Name 3-Hydroxy-11-oxo-12-oleanen-30,22-olide
Formula C30H44O4
Mw 468.32395989
CAS RN 10401-33-9
C_ID C00056378
InChIKey SSHDNSCEQSPWIM-FVTWEACWSA-N
InChICode InChI=1S/C30H44O4/c1-25(2)20-8-11-30(7)23(28(20,5)10-9-21(25)32)19(31)14-17-18-15-26(3)16-22(34-24(26)33)27(18,4)12-13-29(17,30)6/h14,18,20-23,32H,8-13,15-16H2,1-7H3/t18-,20-,21-,22+,23+,26+,27+,28-,29+,30+/m0/s1
SMILES CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@]6(C)C[C@@H](OC6=O)[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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OrganismGlycyrrhiza uralensis
ReferenceCanonica, L. et al., Gazz. Chim. Ital., 1966, 96, 772 (Glabrolide)