input word = C00048539

Metabolite InformationStructural formula
Name Sinuolatin B
(-)-Sinuolatin B
Formula C22H30O8
Mw 422.19406794
CAS RN 1196974-02-3
C_ID C00048539 ,
InChIKey CNXQTIKXKJRHLQ-MPPWFKIDNA-N
InChICode InChI=1S/C22H30O8/c1-10-14-12(24)7-13-20-6-4-5-19(3,8-29-11(2)23)15(20)18(27)22(28,30-9-20)21(13,16(10)25)17(14)26/h12-15,17-18,24,26-28H,1,4-9H2,2-3H3/t12-,13-,14+,15+,17-,18-,19-,20+,21-,22+/m0/s1
SMILES C1[C@]23[C@@H]([C@](CC1)(C)COC(=O)C)[C@@H]([C@]([C@@]14[C@H]2C[C@@H]([C@@H](C(=C)C1=O)[C@@H]4O)O)(OC3)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon sinuolata Ref.
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