input word = C00051257

Metabolite InformationStructural formula
Name Liangshanin E
Formula C22H30O6
Mw 390.20423869
CAS RN 122717-58-2
C_ID C00051257
InChIKey SSXRFBJXEHWMBK-YULMGWMCNA-N
InChICode InChI=1S/C22H30O6/c1-10-12-6-7-13-21(5)14(8-16(25)22(13,18(10)26)19(12)27)20(3,4)15(24)9-17(21)28-11(2)23/h12-14,16-17,19,25,27H,1,6-9H2,2-5H3/t12-,13-,14+,16+,17-,19?,21-,22-/m0/s1
SMILES C=C1C(=O)[C@]23C(O)[C@H]1CC[C@H]2[C@]1(C)[C@@H](OC(C)=O)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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