input word = C00051255

Metabolite InformationStructural formula
Name Liangshanin C
Formula C22H28O5
Mw 372.193674
CAS RN 122717-56-0
C_ID C00051255
InChIKey VJXVVVRBIXYHON-NNVDBKNPNA-N
InChICode InChI=1S/C22H28O5/c1-11-13-6-7-14-21(5)9-8-16(24)20(3,4)15(21)10-17(27-12(2)23)22(14,18(11)25)19(13)26/h8-9,13-15,17,19,26H,1,6-7,10H2,2-5H3/t13-,14-,15+,17+,19?,21-,22-/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]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon liangshanica Ref.
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