input word = C00051522

Metabolite InformationStructural formula
Name Megathyrin B
Formula C20H30O5
Mw 350.20932407
CAS RN 220832-60-0
C_ID C00051522
InChIKey WHHSSDYRQKSNGZ-MZBXKKKINA-N
InChICode InChI=1S/C20H30O5/c1-10-11-6-12(21)15-18-9-25-20(24,19(15,7-11)16(10)23)8-13(18)17(2,3)5-4-14(18)22/h11-16,21-24H,1,4-9H2,2-3H3/t11-,12+,13-,14+,15+,16-,18+,19+,20-/m1/s1
SMILES C=C1[C@@H]2C[C@H](O)[C@H]3[C@@]45CO[C@](O)(C[C@@H]4C(C)(C)CC[C@@H]5O)[C@]3(C2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon enanderianus Ref.
PlantaeLabiataeIsodon megathyrsus Ref.
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OrganismIsodon megathyrsus
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001).

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