input word = C00054076

Metabolite InformationStructural formula
Name Citrusin F
Formula C22H32O14
Mw 520.17920573
CAS RN 134860-04-1
C_ID C00054076
InChIKey YLQXQJFWCRRNGA-MSGOSAFOSA-N
InChICode InChI=1S/C22H32O14/c1-32-14(25)5-3-9-2-4-11(10(24)6-9)34-22-20(31)18(29)16(27)13(36-22)8-33-21-19(30)17(28)15(26)12(7-23)35-21/h2,4,6,12-13,15-24,26-31H,3,5,7-8H2,1H3/t12-,13-,15-,16-,17+,18+,19-,20-,21+,22-/m1/s1
SMILES OC1=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)O2)C=CC(CCC(OC)=O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus limon Ref.
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