input word = C00040370

Metabolite InformationStructural formula
Name Stachysoside B
Formula C34H44O19
Mw 756.24767923
CAS RN 131903-54-3
C_ID C00040370 ,
InChIKey UDHCHDJLZGYDDM-HQAYTJEXNA-N
InChICode InChI=1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+/t14-,21-,22+,24-,25-,26+,27+,28+,29+,30+,31+,32-,33+,34-/m0/s1
SMILES [C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)O)C)OC(=O)/C=C/c1ccc(c(c1)O)O)CO)OCCc1ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeStachys lanata Ref.
PlantaeLabiataeStachys sieboldii Ref.
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