input word = C00051253

Metabolite InformationStructural formula
Name Liangshanin A
Formula C20H26O4
Mw 330.18310932
CAS RN 122717-54-8
C_ID C00051253
InChIKey CNTXARLHZHVLRV-JLBXRRHVNA-N
InChICode InChI=1S/C20H26O4/c1-10-11-5-6-12-19(4)8-7-14(21)18(2,3)13(19)9-15(22)20(12,16(10)23)17(11)24/h7-8,11-13,15,17,22,24H,1,5-6,9H2,2-4H3/t11-,12-,13+,15+,17?,19-,20-/m0/s1
SMILES C=C1C(=O)[C@]23C(O)[C@H]1CC[C@H]2[C@]1(C)C=CC(=O)C(C)(C)[C@H]1C[C@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon liangshanica Ref.
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