Concept information
Preferred term
سویاپوژنول در 3-O-beta-glucurate
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- -1
formula
- C36H57O10
inchi
- InChI=1S/C36H58O10/c1-31(2)16-19-18-8-9-21-33(4)12-11-22(45-30-25(40)23(38)24(39)26(46-30)29(43)44)34(5,17-37)20(33)10-13-36(21,7)35(18,6)15-14-32(19,3)28(42)27(31)41/h8,19-28,30,37-42H,9-17H2,1-7H3,(H,43,44)/p-1/t19-,20+,21+,22-,23-,24-,25+,26-,27-,28+,30+,32+,33-,34+,35+,36+/m0/s1
inchikey
- CZJIMKNMPZTDKL-KYCUXGCASA-M
is_conjugate_base_of
mass
- 649.83180
monoisotopicmass
- 649.39572
smiles
- [H][C@@]12CC(C)(C)[C@@H](O)[C@@H](O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C([O-])=O)[C@](C)(CO)[C@]3([H])CC[C@@]12C
subset
- 3_STAR
synonym EXACT
- (3beta,21beta,22beta)-21,22,24-trihydroxyolean-12-en-3-yl beta-D-glucopyranosiduronate
synonym RELATED
- soyasapogenol A 3-O-beta-D-glucuronate
- soyasapogenol A 3-O-beta-glucuronide(1-)
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:62443
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