input word = C00035636

Metabolite InformationStructural formula
Name Gordonoside H
(-)-Gordonoside H
Formula C53H84O20
Mw 1040.55559513
CAS RN 946409-24-1
C_ID C00035636 ,
InChIKey AACVPYUISGWNOU-NXKHMLNWNA-N
InChICode InChI=1S/C53H84O20/c1-12-24(2)48(60)70-37-20-33-32(53(61)18-16-31(25(3)55)52(37,53)8)14-13-29-19-30(15-17-51(29,33)7)68-38-21-34(62-9)44(26(4)65-38)71-39-22-35(63-10)45(27(5)66-39)72-50-43(59)47(64-11)46(28(6)67-50)73-49-42(58)41(57)40(56)36(23-54)69-49/h12-13,26-28,30-47,49-50,54,56-59,61H,14-23H2,1-11H3/b24-12+/t26-,27-,28-,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40-,41+,42-,43-,44-,45-,46-,47-,49+,50+,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]6O[C@H](C)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](OC)[C@H]6O)[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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