input word = C00048411

Metabolite InformationStructural formula
Name Hoodigoside Q
(-)-Hoodigoside Q
Formula C65H106O29
Mw 1350.68197743
CAS RN 1015765-04-4
C_ID C00048411 ,
InChIKey RXZCSTDUGMFQGT-HIKLNBLBNA-N
InChICode InChI=1S/C65H106O29/c1-12-27(2)58(77)93-56-31(6)87-62(53(76)57(56)81-11)94-55-30(5)85-43(23-38(55)80-10)92-54-29(4)84-42(22-37(54)79-9)88-33-15-18-63(7)32(21-33)13-14-36-35(63)16-19-64(8)34(17-20-65(36,64)78)28(3)86-61-52(75)49(72)46(69)41(91-61)26-83-60-51(74)48(71)45(68)40(90-60)25-82-59-50(73)47(70)44(67)39(24-66)89-59/h12-13,28-31,33-57,59-62,66-76,78H,14-26H2,1-11H3/b27-12+/t28-,29+,30+,31+,33-,34+,35-,36+,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,59+,60+,61+,62-,63-,64+,65-/m0/s1
SMILES C1[C@H]2[C@H]([C@@]3([C@@](C1)(C)[C@H](CC3)[C@H](C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)O)O)O)CC=C1[C@@]2(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC)OC(=O)/C(=C/C)/C)C)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHoodia gordonii Ref.
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