input word = C00035632

Metabolite InformationStructural formula
Name Gordonoside D
(-)-Gordonoside D
Formula C53H84O17
Mw 992.57085126
CAS RN 946409-18-3
C_ID C00035632 ,
InChIKey STYXDAUMGNQYJZ-UKUKLKEZNA-N
InChICode InChI=1S/C53H84O17/c1-13-26(2)50(57)67-41-21-36-35(53(58)19-17-34(27(3)54)52(41,53)9)15-14-32-20-33(16-18-51(32,36)8)66-43-23-38(59-10)48(29(5)63-43)69-45-25-40(61-12)49(31(7)65-45)70-44-24-39(60-11)47(30(6)64-44)68-42-22-37(55)46(56)28(4)62-42/h13-14,28-31,33-49,55-56,58H,15-25H2,1-12H3/b26-13+/t28-,29-,30-,31-,33+,34-,35-,36+,37+,38+,39-,40+,41-,42+,43+,44+,45+,46-,47-,48-,49-,51+,52+,53+/m1/s1
SMILES C/C=C(C)C(=O)O[C@@H]1C[C@H]2[C@@H](CC=C3C[C@@H](O[C@H]4C[C@H](OC)[C@H](O[C@H]5C[C@H](OC)[C@H](O[C@H]6C[C@@H](OC)[C@H](O[C@H]7C[C@H](O)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)[C@@H](C)O4)CC[C@@]32C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHoodia gordonii Ref.
PlantaeTheaceaeGordonia chrysandra Ref.
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