input word = C00024040

Metabolite InformationStructural formula
Name Scuterivulactone C2 3-O-acetate
Formula C31H40O10
Mw 572.2621475
CAS RN 112709-52-1
C_ID C00024040 ,
InChIKey DTKKSSLPDMHZNH-SSZIDLIKNA-N
InChICode InChI=1S/C31H40O10/c1-18(32)38-22-13-12-21-28(4)24(39-19(2)33)15-31(16-25(34)37-17-31)41-27(28,3)14-23(29(21,5)30(22,6)36)40-26(35)20-10-8-7-9-11-20/h7-11,21-24,36H,12-17H2,1-6H3/t21-,22-,23+,24+,27+,28+,29+,30+,31+/m1/s1
SMILES CC(=O)O[C@H]1C[C@]2(COC(=O)C2)O[C@@]2(C)C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@H](CC[C@@H](OC(C)=O)[C@]3(C)O)[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria rivularis Wall. Ref.
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