input word = C00056647

Metabolite InformationStructural formula
Name Houttuynoside A
Formula C21H22O11
Mw 450.11621155
CAS RN 1208863-80-2
C_ID C00056647
InChIKey FBQCLBJQRYAZAQ-ZIKOTGLESA-N
InChICode InChI=1S/C21H22O11/c1-29-19(27)11-4-7-13(23)14(8-11)31-21-18(26)17(25)16(24)15(32-21)9-30-20(28)10-2-5-12(22)6-3-10/h2-8,15-18,21-26H,9H2,1H3/t15-,16-,17+,18-,21-/m1/s1
SMILES OC1=CC=C(C(OC[C@H]2O[C@@H](OC3=C(O)C=CC(C(OC)=O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSaururaceaeHouttuynia cordata Ref.
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