input word = C00056595

Metabolite InformationStructural formula
Name Diosbulbiside B
Formula C45H72O18
Mw 900.4718655
CAS RN 1193603-17-6
C_ID C00056595
InChIKey WKFBOKKQIGSZIT-DKDJELHLSA-N
InChICode InChI=1S/C45H72O18/c1-19-29(47)32(50)34(52)38(57-19)61-36-31(49)27(17-46)60-40(37(36)62-39-35(53)33(51)30(48)20(2)58-39)59-23-9-11-42(5)22(15-23)7-8-24-25(42)10-12-43(6)26(24)16-28-45(43,55)21(3)44(63-28)14-13-41(4,54)18-56-44/h15,19-21,23-40,46-55H,7-14,16-18H2,1-6H3/t19-,20-,21+,23-,24+,25-,26-,27+,28-,29-,30-,31+,32+,33+,34+,35+,36-,37+,38-,39?,40+,41-,42-,43-,44+,45+/m0/s1
SMILES C[C@@]12C(CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])C[C@@]5([H])[C@]4(O)[C@H](C)[C@]6(OC[C@@](C)(O)CC6)O5)=C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7OC9[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O9)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea bulbifera Ref.
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OrganismDioscorea bulbifera
ReferenceLiu, H. et al., J. Nat. Prod., 2009, 72, 1964-1968 (Diosbulbisides A,B)