input word = C00048563

Metabolite InformationStructural formula
Name Wikstroemioidin B
Formula C23H34O6
Mw 406.23553882
CAS RN 152511-36-9
C_ID C00048563 ,
InChIKey SWSXUNGOPTYIGL-NAYDVACFNA-N
InChICode InChI=1S/C23H34O6/c1-11-12-8-13-15-21-10-27-23(26,22(15,9-12)17(11)24)18(25)16(21)19(2,3)7-6-14(21)29-20(4,5)28-13/h12-18,24-26H,1,6-10H2,2-5H3/t12-,13+,14+,15+,16-,17-,18+,21+,22+,23-/m1/s1
SMILES C=C1[C@@H]2C[C@@H]3OC(C)(C)O[C@H]4CCC(C)(C)[C@H]5[C@H](O)[C@@]6(O)OC[C@@]45[C@H]3[C@@]6(C2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon sinuolata Ref.
PlantaeLabiataeIsodon wikstroemioides Ref.
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OrganismIsodon wikstroemioides
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)