input word = C00037877

Metabolite InformationStructural formula
Name Taibaijaponicain B
(-)-Taibaijaponicain B
Formula C23H32O9
Mw 452.20463262
CAS RN 382162-93-8
C_ID C00037877 ,
InChIKey LZAVQTOGXOKEMO-MQVWGFGINA-N
InChICode InChI=1S/C23H32O9/c1-10(24)31-14-6-15-23(9-30-19(27)17(23)21(14,2)3)16-13(25)5-11-7-22(16,20(28)32-15)18(26)12(11)8-29-4/h11-17,19,25,27H,5-9H2,1-4H3/t11-,12-,13+,14+,15+,16-,17-,19-,22+,23+/m1/s1
SMILES C1[C@H]2[C@H](C(=O)[C@@]3([C@@H]([C@H]1O)[C@]14[C@@H](OC3=O)C[C@@H](C([C@H]1[C@@H](OC4)O)(C)C)OC(=O)C)C2)COC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon japonica Ref.
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OrganismIsodon japonica
ReferenceLi,Phytochem.,58,(2001),543