input word = C00033785

Metabolite InformationStructural formula
Name Dioseptemloside H
(-)-Dioseptemloside H
Formula C39H62O13
Mw 738.41904207
CAS RN 1023928-65-5
C_ID C00033785 ,
InChIKey NIAXDPKRLMXOKV-OXSQZDLONA-N
InChICode InChI=1S/C39H62O13/c1-18-27-25(52-39(18)13-12-36(3,46)17-47-39)15-24-22-7-6-20-14-21(8-10-37(20,4)23(22)9-11-38(24,27)5)49-35-32(45)30(43)33(26(16-40)50-35)51-34-31(44)29(42)28(41)19(2)48-34/h6,18-19,21-35,40-46H,7-17H2,1-5H3/t18-,19-,21-,22+,23-,24-,25-,26+,27-,28-,29+,30-,31+,32+,33+,34-,35+,36-,37-,38-,39+/m0/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@@](CC1)(C)O)C)C)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea septemloba Ref.
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