input word = C00046921

Metabolite InformationStructural formula
Name Scutalsin
Formula C26H38O9
Mw 494.25158281
CAS RN 178738-51-7
C_ID C00046921 ,
InChIKey BKNXMAVBDJZREO-NNHUTLNCNA-N
InChICode InChI=1S/C26H38O9/c1-12(2)21(29)35-23-26-17(9-16(32-23)10-25(26)11-30-25)24(5,13(3)6-19(26)31-14(4)27)18-7-15-8-20(28)34-22(15)33-18/h12-13,15-20,22-23,28H,6-11H2,1-5H3/t13-,15+,16-,17-,18+,19+,20+,22-,23-,24+,25+,26+/m1/s1
SMILES CC(=O)O[C@H]1C[C@@H](C)[C@](C)([C@@H]2C[C@H]3C[C@@H](O)O[C@H]3O2)[C@H]2C[C@@H]3C[C@]4(CO4)C12[C@@H](OC(=O)C(C)C)O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria polyodon Ref.
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