input word = C00042043

Metabolite InformationStructural formula
Name 11-Episcutecolumnin C
(+)-11-Episcutecolumnin C
Formula C22H32O7
Mw 408.21480338
CAS RN 216103-90-1
C_ID C00042043 ,
InChIKey LHQJJZZDFOZOIO-NWCVUGRWNA-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]12C[C@@]3([C@@]4([C@H](C1)[C@@]([C@@H](C[C@@H]4OC(=O)C)C)(C)[C@H]1C[C@@H]4[C@H](O1)OCC4)[C@H](O2)O)CO3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria columnae var. columnae Ref.
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OrganismScutellaria columnae var. columnae
ReferenceMalakov,Phytochem.,49,(1998),811