input word = C00040141

Metabolite InformationStructural formula
Name Rabdoternin E
Formula C21H30O7
Mw 394.19915331
CAS RN 155969-82-7
C_ID C00040141 ,
InChIKey UHERRNNNKBWWKU-XEQDWCRONA-N
InChICode InChI=1S/C21H30O7/c1-9-10-5-6-11-19-12(22)7-8-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(11,14(9)23)15(10)24/h10-13,15-17,22,24-26H,1,5-8H2,2-4H3/t10-,11-,12-,13+,15+,16-,17+,19-,20-,21+/m0/s1
SMILES C=C1C(=O)[C@]23C(O)[C@H]1CC[C@H]2[C@@]12[C@H](OC)O[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon ternifolia Ref.
PlantaeLabiataeIsodon xerophilus Ref.
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OrganismIsodon ternifolia
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)