input word = C00030140

Metabolite InformationStructural formula
Name Diosgenin 3-O-alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranoside
Progenin III
(-)-Progenin III
Formula C39H62O12
Mw 722.42412745
CAS RN 19057-67-1
C_ID C00030140 ,
InChIKey HDXIQHTUNGFJIC-ZAPQRXPANA-N
InChICode InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@@]1(O2)OC[C@@H](CC1)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium vineale Ref.
PlantaeDioscoreaceaeDioscorea alata Ref.
PlantaeDioscoreaceaeDioscorea bulbifera var.sativa Ref.
PlantaeDioscoreaceaeDioscorea cayenensis Ref.
PlantaeDioscoreaceaeDioscorea nipponica Ref.
PlantaeDioscoreaceaeDioscorea panthaica Ref.
PlantaeDioscoreaceaeDioscorea polygonoides Ref.
PlantaeDioscoreaceaeDioscorea villosa Ref.
PlantaePalmaeBorassus flabellifer Ref.
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OrganismDioscorea nipponica
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 2, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.