input word = C00042988

Metabolite InformationStructural formula
Name Scutecolumnin C
Formula C22H32O7
Mw 408.21480338
CAS RN 145040-51-3
C_ID C00042988 ,
InChIKey LHQJJZZDFOZOIO-UHFFFAOYNA-N
InChICode InChI=1S/C22H32O7/c1-11-6-17(27-12(2)23)22-15(8-14(28-19(22)24)9-21(22)10-26-21)20(11,3)16-7-13-4-5-25-18(13)29-16/h11,13-19,24H,4-10H2,1-3H3/t11-,13-,14+,15+,16-,17-,18+,19+,20-,21+,22-/m1/s1
SMILES [C@H]1([C@@]23[C@]4(C[C@H](C[C@H]2[C@@]([C@@H](C[C@H]3OC(=O)C)C)([C@@H]2O[C@H]3[C@@H](C2)CCO3)C)O1)CO4)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria columnae var. columnae Ref.
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