input word = C00041120

Metabolite InformationStructural formula
Name Scutalpin N
(-)-Scutalpin N
Formula C29H36O8
Mw 512.24101813
CAS RN 220831-52-7
C_ID C00041120 ,
InChIKey RJRCRDUHASNVGC-BBZAKFCRNA-N
InChICode InChI=1S/C29H36O8/c1-19(30)35-18-29-22(10-7-12-28(29)17-36-28)26(2,13-11-20-14-24(31)34-16-20)27(3,33)15-23(29)37-25(32)21-8-5-4-6-9-21/h4-6,8-9,14,22-23,33H,7,10-13,15-18H2,1-3H3/t22-,23+,26-,27+,28+,29+/m1/s1
SMILES C1C[C@@]2([C@]3([C@H](C1)[C@]([C@](C[C@@H]3OC(=O)c1ccccc1)(O)C)(CCC1=CC(=O)OC1)C)COC(=O)C)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria alpina Ref.
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