input word = C00035057

Metabolite InformationStructural formula
Name Barbatin C
(-)-Barbatin C
Formula C20H28O5
Mw 348.193674
CAS RN 905929-94-4
C_ID C00035057 ,
InChIKey RVXNORLERZFOTB-DKJZQUSYNA-N
InChICode InChI=1S/C20H28O5/c1-12-6-5-7-14-18(2,9-8-13-10-15(21)25-11-13)20(4,24)17(23)16(22)19(12,14)3/h6,8-10,14,16-17,22-24H,5,7,11H2,1-4H3/b9-8+/t14-,16+,17+,18+,19+,20+/m1/s1
SMILES CC1=CCC[C@H]2[C@@]1(C)[C@@H](O)[C@H](O)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria barbata D Ref.
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