input word = C00044391

Metabolite InformationStructural formula
Name Zygophyloside K
Formula C42H66O15
Mw 810.44017144
CAS RN 212055-71-5
C_ID C00044391 ,
InChIKey IDUNGWJLADYQNW-ZXNYMTTANA-N
InChICode InChI=1S/C42H66O15/c1-37(2)23-9-12-41(6)24(39(23,4)11-10-25(37)55-35-31(50)28(47)29(48)32(56-35)33(51)52)8-7-20-21-17-38(3,19-44)13-15-42(21,16-14-40(20,41)5)36(53)57-34-30(49)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28-,29?,30+,31+,32-,34-,35+,38+,39-,40+,41+,42-/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2C[C@](CC1)(C)CO)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeZygophyllum album Ref.
PlantaeZygophyllaceaeZygophyllum decumbens Ref.
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