input word = C00044311

Metabolite InformationStructural formula
Name Segetoside A
(+)-Segetoside A
Formula C22H32O14
Mw 520.17920573
CAS RN 211567-44-1
C_ID C00044311 ,
InChIKey HBGHQKVJYBCGON-AWTJMIKRNA-N
InChICode InChI=1S/C22H32O14/c1-32-12-6-10(2-4-11(12)25)3-5-15(26)33-8-14-16(27)18(29)19(30)21(34-14)36-22(9-24)20(31)17(28)13(7-23)35-22/h2,4,6,13-14,16-21,23-25,27-31H,3,5,7-9H2,1H3/t13-,14-,16+,17-,18+,19-,20+,21-,22+/m1/s1
SMILES COc1cc(CCC(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeVaccaria segetalis Ref.
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