input word = C00046125

Metabolite InformationStructural formula
Name Maoecrystal P
(-)-Maoecrystal P
Formula C20H22O5
Mw 342.14672381
CAS RN 202589-45-5
C_ID C00046125 ,
InChIKey PTXBJCCXMBZGPW-CZFSILBCNA-N
InChICode InChI=1S/C20H22O5/c1-9-10-4-5-11-19(7-10,16(9)23)17(24)14(22)15-18(2,3)13-6-12(21)20(11,15)8-25-13/h10-11,13,22H,1,4-8H2,2-3H3/t10-,11-,13-,19+,20-/m1/s1
SMILES C1[C@@H]2C(C3=C(C(=O)[C@]45[C@H]([C@@]3(C1=O)CO2)CC[C@H](C4)C(=C)C5=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon eriocalyx Ref.
PlantaeLamiaceaeRabdosia eriocalyx Ref.
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