input word = C00051256

Metabolite InformationStructural formula
Name Liangshanin D
Formula C20H28O4
Mw 332.19875938
CAS RN 122717-57-1
C_ID C00051256
InChIKey CLQZWQHSQOTGBA-ZOYYKTMYNA-N
InChICode InChI=1S/C20H28O4/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+,16-,17+,19-,20-/m0/s1
SMILES C=C1[C@@H]2CC[C@H]3[C@]4(C)C=CC(=O)C(C)(C)[C@H]4C[C@@H](O)[C@]3(C2O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon liangshanica Ref.
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