input word = C00048478

Metabolite InformationStructural formula
Name Maoecrystal G
Formula C22H32O5
Mw 376.22497413
CAS RN 133269-18-8
C_ID C00048478 ,
InChIKey FBTJZZXDFNRZCC-FBGTZHRXNA-N
InChICode InChI=1S/C22H32O5/c1-12-14-6-7-15-20-9-5-8-19(3,4)16(20)18(27-13(2)23)22(25,26-11-20)21(15,10-14)17(12)24/h14-18,24-25H,1,5-11H2,2-4H3/t14-,15+,16-,17-,18+,20-,21+,22-/m1/s1
SMILES C=C1[C@@H]2CC[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](OC(C)=O)[C@@](O)(OC5)[C@]3(C2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon oresbia Ref.
PlantaeLabiataeIsodon sinuolata Ref.
PlantaeLamiaceaeRabdosia eriocalyx Ref.
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OrganismRabdosia eriocalyx
ReferenceXiang, et al., Phytochemistry, 65, (2004), 1173.

Sun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)