input word = C00051518

Metabolite InformationStructural formula
Name Mebadonin
Formula C20H30O4
Mw 334.21440945
CAS RN 41743-72-0
C_ID C00051518
InChIKey XIGJIFFLTSZIKL-MQVQUOBTNA-N
InChICode InChI=1S/C20H30O4/c1-10-12-5-6-13-19(4)9-11(21)8-18(2,3)14(19)7-15(22)20(13,16(10)23)17(12)24/h11-15,17,21-22,24H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15+,17?,19-,20-/m0/s1
SMILES C=C1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)C[C@H](O)C[C@@]4(C)[C@@H]2CCC1[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon umbrosa var.latifolia Ref.
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OrganismIsodon umbrosa var.latifolia
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)