input word = C00039417

Metabolite InformationStructural formula
Name Inflexinol
Formula C24H34O7
Mw 434.23045344
CAS RN 82843-85-4
C_ID C00039417 ,
InChIKey GTQYDJNEMVAENP-CMOJTBHONA-N
InChICode InChI=1S/C24H34O7/c1-11-14-7-15(27)20-23(6)18(31-13(3)26)8-17(30-12(2)25)22(4,5)19(23)16(28)10-24(20,9-14)21(11)29/h14-20,27-28H,1,7-10H2,2-6H3/t14-,15-,16+,17+,18-,19-,20+,23-,24+/m1/s1
SMILES C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(C)[C@H]([C@@H](O)C3)C(C)(C)[C@@H](OC(C)=O)C[C@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon excisus Ref.
PlantaeLabiataeIsodon inflexa Ref.
PlantaeLamiaceaeRabdosia inflexa Ref.
zoom in



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