input word = C00053967

Metabolite InformationStructural formula
Name Apinoside A
Formula C22H26O12
Mw 482.1424263
CAS RN 945259-61-0
C_ID C00053967
InChIKey ZPJXHZWSVVTKED-QKYBYQKWSA-N
InChICode InChI=1S/C22H26O12/c1-29-13-8-11(23)4-5-12(13)33-22-20(27)19(26)18(25)16(34-22)9-32-21(28)10-6-14(30-2)17(24)15(7-10)31-3/h4-8,16,18-20,22-27H,9H2,1-3H3/t16-,18-,19+,20-,22-/m1/s1
SMILES COC1=C(O)C(OC)=CC(C(OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC3=CC=C(O)C=C3OC)O2)=O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeAlpinia officinarum Ref.
zoom in