input word = C00050231

Metabolite InformationStructural formula
Name Scutalpin M
Formula C26H38O9
Mw 494.25158281
CAS RN 107926-99-8
C_ID C00050231 ,
InChIKey NXWMNOGCYRGOEM-LFOWNFFSNA-N
InChICode InChI=1S/C26H38O9/c1-14-9-21(32-16(3)28)26(13-30-15(2)27)19(7-6-8-25(26)12-31-25)24(14,5)20-10-18-11-22(33-17(4)29)35-23(18)34-20/h14,18-23H,6-13H2,1-5H3/t14-,18+,19-,20+,21+,22-,23-,24+,25+,26+/m1/s1
SMILES CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C[C@H](OC(C)=O)O[C@H]4O3)[C@H]1CCC[C@]21CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria pontica Ref.
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