input word = C00050836

Metabolite InformationStructural formula
Name Inflexusin B
Formula C20H26O5
Mw 346.17802394
CAS RN 182266-57-5
C_ID C00050836
InChIKey QUUUEWBMPVGPDF-AHZKELKPNA-N
InChICode InChI=1S/C20H26O5/c1-11-12-4-5-13-19(10-25-17(23)20(13,8-12)15(11)21)7-3-6-18(2)9-24-16(22)14(18)19/h12-14,16,22H,1,3-10H2,2H3/t12-,13-,14+,16+,18-,19+,20+/m0/s1
SMILES C=C1C(=O)[C@@]23C[C@@H]1CC[C@H]2[C@@]1(CCC[C@@]2(C)CO[C@@H](O)[C@H]21)COC3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon inflexa Ref.
PlantaeLabiataeIsodon macrocalyx Ref.
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OrganismIsodon macrocalyx
ReferenceLi, et al., Chinese Traditional and Herbal Drugs(Zhongcaoyao), 27, (1996), 323.

Sun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)