input word = C00063901

Metabolite InformationStructural formula
Name Dioscoreanoside J
Formula C39H62O15
Mw 770.40887131
CAS RN 1469752-73-5
C_ID C00063901
InChIKey SOYHARMPAMYKRF-MLLYGVCUSA-N
InChICode InChI=1S/C39H62O15/c1-17-28(43)29(44)31(46)34(50-17)53-33-25(15-41)52-35(32(47)30(33)45)51-21-7-9-36(3)20(12-21)5-6-22-23(36)8-10-37(4)24(22)13-27-38(37,48)18(2)39(54-27)26(42)11-19(14-40)16-49-39/h5,17-19,21-35,40-48H,6-16H2,1-4H3/t17-,18-,19-,21-,22+,23-,24-,25+,26-,27-,28-,29+,30+,31+,32+,33+,34-,35+,36-,37-,38+,39+/m0/s1
SMILES CC1OC(OC2C(CO)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC6(OCC(CO)CC6O)C(C)C54O)C3)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea bulbifera Ref.
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