input word = C00035056

Metabolite InformationStructural formula
Name Barbatin B
(-)-Barbatin B
Formula C34H38O8
Mw 574.25666819
CAS RN 905929-93-3
C_ID C00035056 ,
InChIKey XDBXJSPSWNIIHW-ZLQFDLEQNA-N
InChICode InChI=1S/C34H38O8/c1-21-12-11-17-24-31(21,2)27(40-29(37)22-13-7-5-8-14-22)28(41-30(38)23-15-9-6-10-16-23)33(4)32(24,3)25(35)18-34(42-33)19-26(36)39-20-34/h5-10,13-16,24-25,27-28,35H,1,11-12,17-20H2,2-4H3/t24-,25-,27-,28-,31-,32-,33-,34-/m0/s1
SMILES C1CC(=C)[C@]2([C@H](C1)[C@@]1([C@]([C@H]([C@@H]2OC(=O)c2ccccc2)OC(=O)c2ccccc2)(O[C@@]2(C[C@@H]1O)CC(=O)OC2)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria barbata D Ref.
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