input word = C00035055

Metabolite InformationStructural formula
Name Barbatin A
(-)-Barbatin A
Formula C34H38O8
Mw 574.25666819
CAS RN 883992-07-2
C_ID C00035055 ,
InChIKey ZAYKMDVKSXAHIM-ZLQFDLEQNA-N
InChICode InChI=1S/C34H38O8/c1-21-12-11-17-24-31(21,2)28(41-30(38)23-15-9-6-10-16-23)27(36)33(4)32(24,3)25(18-34(42-33)19-26(35)39-20-34)40-29(37)22-13-7-5-8-14-22/h5-10,12-16,24-25,27-28,36H,11,17-20H2,1-4H3/t24-,25-,27-,28-,31-,32-,33-,34-/m0/s1
SMILES C1C=C([C@]2([C@H](C1)[C@@]1([C@]([C@H]([C@@H]2OC(=O)c2ccccc2)O)(O[C@@]2(C[C@@H]1OC(=O)c1ccccc1)CC(=O)OC2)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria barbata D Ref.
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OrganismScutellaria barbata D
ReferenceDai,Phytochem.,67,(2006),1326