input word = C00019909

Metabolite InformationStructural formula
Name 7-(10'-Hydroxygeranyl)scopoletin 10'-O-beta-D-fucopyranosyl-(6->1)-beta-D-glucopyranoside
Formula C32H44O14
Mw 652.27310612
CAS RN 144234-25-3
C_ID C00019909 ,
InChIKey RTWCTRFVACGXAD-JTDJDKCFNA-N
InChICode InChI=1S/C32H44O14/c1-16(10-11-41-22-13-20-19(12-21(22)40-4)8-9-24(33)45-20)6-5-7-17(2)14-42-32-30(39)28(37)26(35)23(46-32)15-43-31-29(38)27(36)25(34)18(3)44-31/h7-10,12-13,18,23,25-32,34-39H,5-6,11,14-15H2,1-4H3/b16-10+,17-7-/t18-,23+,25-,26+,27-,28-,29+,30-,31+,32+/m0/s1
SMILES c1(c(cc2c(c1)oc(=O)cc2)OC)OC/C=C(\C)/CC/C=C(/C)\CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCoptis trifolia Ref.
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