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 CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@](C)(CO)CC[C@]5(C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeZygophyllum album Ref.
PlantaeZygophyllaceaeZygophyllum decumbens Ref.
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OrganismZygophyllum album
ReferenceKsouri, W. M. et al., Food Chem., 139, (2013), 1073-1080.