input word = C00033780

Metabolite InformationStructural formula
Name Dioseptemloside C
(-)-Dioseptemloside C
Formula C39H62O13
Mw 738.41904207
CAS RN 1023928-60-0
C_ID C00033780 ,
InChIKey JJQPAMVBVCTWHX-ROFUTLHJNA-N
InChICode InChI=1S/C39H62O13/c1-18-28-26(52-39(18)12-7-20(15-40)17-47-39)14-25-23-6-5-21-13-22(8-10-37(21,3)24(23)9-11-38(25,28)4)49-36-33(46)31(44)34(27(16-41)50-36)51-35-32(45)30(43)29(42)19(2)48-35/h5,18-20,22-36,40-46H,6-17H2,1-4H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39+/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](CO)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea septemloba Ref.
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