input word = C00040065

Metabolite InformationStructural formula
Name Premnaodoroside D
(-)-Premnaodoroside D
Formula C42H66O20
Mw 890.41474455
CAS RN 260803-62-1
C_ID C00040065 ,
InChIKey JALKRSKXPDUJBH-YMEPOPLWNA-N
InChICode InChI=1S/C42H66O20/c1-17(13-55-37(53)23-15-57-39(29-19(3)25(45)9-21(23)29)61-41-35(51)33(49)31(47)27(11-43)59-41)7-5-6-8-18(2)14-56-38(54)24-16-58-40(30-20(4)26(46)10-22(24)30)62-42-36(52)34(50)32(48)28(12-44)60-42/h15-22,25-36,39-52H,5-14H2,1-4H3/t17-,18-,19+,20+,21-,22-,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,39+,40+,41+,42+/m1/s1
SMILES C1=C([C@@H]2[C@@H]([C@@H](O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H]([C@H](C2)O)C)C(=O)OC[C@H](C)CCCC[C@H](COC(=O)C1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]([C@@H]2C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePremna subscandens Ref.
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