input word = C00039734

Metabolite InformationStructural formula
Name Maoecrystal I
Formula C22H30O8
Mw 422.19406794
CAS RN 121817-30-9
C_ID C00039734 ,
InChIKey HMWUNMFAGJJPBJ-GNRQOMSENA-N
InChICode InChI=1S/C22H30O8/c1-10-12-4-5-13-20-9-30-22(28,21(13,7-12)17(10)26)18(27)16(20)19(3,8-29-11(2)23)14(24)6-15(20)25/h12-16,18,24-25,27-28H,1,4-9H2,2-3H3/t12-,13+,14+,15-,16-,18+,19-,20-,21+,22-/m1/s1
SMILES C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1[C@](C)(COC(C)=O)[C@@H](O)C[C@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon xerophilus Ref.
PlantaeLamiaceaeRabdosia eriocalyx Ref.
zoom in



OrganismRabdosia eriocalyx
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)