input word = C00063868

Metabolite InformationStructural formula
Name Dioscoreavilloside B
Formula C39H64O14
Mw 756.42960675
CAS RN 1427961-30-5
C_ID C00063868
InChIKey LXIDEQFMCLGUGC-MFYZDCALSA-N
InChICode InChI=1S/C39H64O14/c1-17(2)6-9-24(42)18(3)29-25(51-37-35(49)33(47)31(45)27(16-41)53-37)13-23-21-8-7-19-12-20(50-36-34(48)32(46)30(44)26(15-40)52-36)10-11-38(19,4)22(21)14-28(43)39(23,29)5/h7,17-18,20-27,29-37,40-42,44-49H,6,8-16H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26-,27-,29+,30-,31-,32+,33+,34-,35-,36-,37-,38+,39-/m1/s1
SMILES CC(C)CCC(O)C(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CC(=O)C21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea cayenensis Ref.
PlantaeDioscoreaceaeDioscorea nipponica Ref.
PlantaeDioscoreaceaeDioscorea villosa Ref.
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