input word = C00019793

Metabolite InformationStructural formula
Name Hymexelsin
Xeroboside
7-O-[beta-D-Apiofuranosyl-(1->6)-beta-D-glucopyranosyl]-6-methoxycoumarin
7-O-beta-Apiofuranosyl-(1->6)-beta-glucopyranosylscopoletin
Formula C21H26O13
Mw 486.13734092
CAS RN 117842-09-8
C_ID C00019793 ,
InChIKey DZYQXXKWKCRGAY-AXGSAECBNA-N
InChICode InChI=1S/C21H26O13/c1-29-10-4-8-2-3-14(23)31-9(8)5-11(10)32-21-19(28)17(26)16(25)13(34-21)7-30-20-18(27)15(24)12(6-22)33-20/h2-5,12-13,15-22,24-28H,6-7H2,1H3/t12-,13+,15+,16-,17+,18+,19+,20+,21-/m1/s1
SMILES c1(c(cc2c(c1)ccc(=O)o2)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO[C@@H]1[C@H]([C@@H](O)[C@@H](CO)O1)O)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica furcijuga Ref.
PlantaeApiaceaePeucedanum praeruptorum DUNN. Ref.
PlantaeRubiaceaeCanthium berberidifolium Ref.
PlantaeRubiaceaeXeromphis obovata Ref.
PlantaeRubiaceaeXeromphis spinosa Ref.
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