input word = C00037717

Metabolite InformationStructural formula
Name Rabdoternin D
(-)-Rabdoternin D
Formula C22H32O7
Mw 408.21480338
CAS RN 155969-81-6
C_ID C00037717 ,
InChIKey SCQGHCFEGSHMDK-DNKIFYPHNA-N
InChICode InChI=1S/C22H32O7/c1-10-12-8-13(24)14-20-7-5-6-19(3,4)15(20)18(29-11(2)23)22(27,28-9-20)21(14,16(10)25)17(12)26/h12-18,24-27H,1,5-9H2,2-4H3/t12?,13-,14-,15+,16+,17+,18-,20-,21+,22+/m0/s1
SMILES C1CC([C@@H]2[C@]3(C1)[C@H]1[C@@]4([C@]([C@H]2OC(=O)C)(O)OC3)[C@@H](C(=C)[C@H](C[C@@H]1O)[C@H]4O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon ternifolia Ref.
PlantaeLabiataeIsodon xerophilus Ref.
zoom in



OrganismIsodon ternifolia
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001).

Hou, et al., Phytochemistry, 58, (2001), 179