input word = C00048419

Metabolite InformationStructural formula
Name Hoodigoside Z
(-)-Hoodigoside Z
Formula C53H86O19
Mw 1026.57633057
CAS RN 1159579-94-8
C_ID C00048419 ,
InChIKey BMUIUHOILPNATE-SPWWTFSCNA-N
InChICode InChI=1S/C53H86O19/c1-12-25(2)48(59)71-46-29(6)67-50(43(58)47(46)63-11)72-45-28(5)65-39(23-36(45)62-10)70-44-27(4)64-38(22-35(44)61-9)68-31-15-18-51(7)30(21-31)13-14-34-33(51)16-19-52(8)32(17-20-53(34,52)60)26(3)66-49-42(57)41(56)40(55)37(24-54)69-49/h12-13,26-29,31-47,49-50,54-58,60H,14-24H2,1-11H3/b25-12+/t26-,27+,28+,29+,31-,32+,33-,34+,35-,36-,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47+,49+,50-,51-,52+,53-/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)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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