input word = C00039739

Metabolite InformationStructural formula
Name Megathyrin A
Formula C20H28O5
Mw 348.193674
CAS RN 160791-05-9
C_ID C00039739 ,
InChIKey VPZCKRKZFRCZMX-WCRIDPNANA-N
InChICode InChI=1S/C20H28O5/c1-10-11-4-5-12-18-9-25-19(24,20(12,15(10)22)16(11)23)8-13(18)17(2,3)7-6-14(18)21/h11-14,16,21,23-24H,1,4-9H2,2-3H3/t11-,12-,13+,14-,16-,18-,19+,20-/m0/s1
SMILES C=C1C(=O)[C@]23C(O)[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon enanderianus Ref.
PlantaeLabiataeIsodon japonicus Ref.
PlantaeLabiataeIsodon megathyrsus Ref.
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OrganismIsodon enanderianus
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001).

Xiang, et al., Planta Med, 69, (2003), 1031