input word = C00058113

Metabolite InformationStructural formula
Name Thesinine 4'-glucoside
Formula C23H31NO8
Mw 449.20496697
CAS RN 460730-79-4
C_ID C00058113
InChIKey VRWXOVDCMDXQDO-VDEBYVOPSA-N
InChICode InChI=1S/C23H31NO8/c25-12-18-20(27)21(28)22(29)23(32-18)31-16-6-3-14(4-7-16)5-8-19(26)30-13-15-9-11-24-10-1-2-17(15)24/h3-8,15,17-18,20-23,25,27-29H,1-2,9-13H2/b8-5+/t15-,17+,18+,20+,21-,22+,23+/m0/s1
SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(/C=C/C(OC[C@@H]3CCN4CCC[C@]34[H])=O)C=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeBorago officinalis Ref.
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