input word = C00031568

Metabolite InformationStructural formula
Name Agamenoside H
Formula C39H64O16
Mw 788.419436
CAS RN 738584-19-5
C_ID C00031568 ,
InChIKey FTCMOISKJQEVMG-GWBBGFGCNA-N
InChICode InChI=1S/C39H64O16/c1-15-14-50-39(34(49)33(15)54-36-32(48)30(46)28(44)25(13-41)53-36)16(2)26-23(55-39)11-20-18-10-22(51-35-31(47)29(45)27(43)24(12-40)52-35)21-9-17(42)5-7-37(21,3)19(18)6-8-38(20,26)4/h15-36,40-49H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21+,22-,23-,24+,25+,26-,27-,28-,29-,30-,31+,32+,33+,34-,35+,36-,37+,38-,39-/m0/s1
SMILES C[C@H]1COC2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAgavaceaeAgave americana Ref.
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