input word = C00005831

Metabolite InformationStructural formula
Name Hexandraside D
Formula C39H50O19
Mw 822.29462942
CAS RN 137218-02-1
C_ID C00005831 ,
InChIKey LMZZWQKHDOVICB-IQLKUAPNNA-N
InChICode InChI=1S/C39H50O19/c1-14(2)6-11-19-21(54-38-31(49)29(47)26(44)22(13-40)55-38)12-20(41)23-27(45)36(33(56-34(19)23)17-7-9-18(51-5)10-8-17)58-39-32(50)35(25(43)16(4)53-39)57-37-30(48)28(46)24(42)15(3)52-37/h6-10,12,15-16,22,24-26,28-32,35,37-44,46-50H,11,13H2,1-5H3/t15-,16-,22+,24-,25-,26+,28-,29-,30+,31+,32-,35+,37-,38+,39-/m0/s1
SMILES c1(cc(c2c(c1CC=C(C)C)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)C)c1ccc(cc1)OC)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeVancouveria hexandra Ref.
--Vancouvaria hexandra Ref.
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OrganismVancouvaria hexandra
ReferenceM. Mizuno et al., Phytochem., 1992, 31, 297-299

1991, 30, 2765-2768

1990, 29, 1277-1281.