input word = C00041119

Metabolite InformationStructural formula
Name Scutalpin L
Formula C36H40O10
Mw 632.2621475
CAS RN 163634-00-2
C_ID C00041119 ,
InChIKey NHHUZOTVKCPULF-YNEVDLQZNA-N
InChICode InChI=1S/C36H40O10/c1-23(37)43-22-36-27(15-10-17-35(36)21-44-35)33(2,18-16-24-19-28(38)42-20-24)34(3,41)29(45-31(39)25-11-6-4-7-12-25)30(36)46-32(40)26-13-8-5-9-14-26/h4-9,11-14,19,27,29-30,41H,10,15-18,20-22H2,1-3H3/t27-,29+,30+,33-,34+,35+,36+/m1/s1
SMILES C1C[C@@]2([C@]3([C@H](C1)[C@]([C@]([C@H]([C@@H]3OC(=O)c1ccccc1)OC(=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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