input word = C00031570

Metabolite InformationStructural formula
Name Agamenoside J
(-)-Agamenoside J
Formula C33H54O10
Mw 610.37169795
CAS RN 738584-21-9
C_ID C00031570 ,
InChIKey DHQWUUFYWUJBRL-DJKBMKFYNA-N
InChICode InChI=1S/C33H54O10/c1-15-11-24(41-29(15)42-30-28(38)27(37)26(36)23(14-34)40-30)33(39)16(2)25-22(43-33)13-21-19-6-5-17-12-18(35)7-9-31(17,3)20(19)8-10-32(21,25)4/h15-30,34-39H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23-,24-,25+,26+,27+,28-,29+,30+,31+,32+,33+/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@@]([C@H]1C)([C@@H]1O[C@@H](O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[C@@H](C1)C)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAgavaceaeAgave americana Ref.
zoom in