input word = C00041114

Metabolite InformationStructural formula
Name Scutalbin C
Formula C22H32O8
Mw 424.209718
CAS RN 827341-65-1
C_ID C00041114 ,
InChIKey VNNHJRDFAKPJHC-UXGBLTJHNA-N
InChICode InChI=1S/C22H32O8/c1-10-4-16(27-11(2)23)22-14(7-13(28-19(22)25)8-21(22)9-26-21)20(10,3)15-5-12-6-17(24)30-18(12)29-15/h10,12-19,24-25H,4-9H2,1-3H3/t10-,12+,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)O[C@@H](C4)O)[C@H](O2)O)CO3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria rubicunda subsp. linneana Ref.
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