Concept information
Preferred term
اسید سیتونیک B
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C32H36O10
has_functional_parent
has_role
inchi
- InChI=1S/C32H36O10/c1-4-7-8-11-20-14-23(16-25(35)27(20)30(37)38)42-32(40)29-19(10-6-3)13-22(17-26(29)36)41-31(39)28-18(9-5-2)12-21(33)15-24(28)34/h12-17,33-36H,4-11H2,1-3H3,(H,37,38)
inchikey
- NUJLMXRQKUYQKE-UHFFFAOYSA-N
mass
- 580.62220
monoisotopicmass
- 580.23085
smiles
- CCCCCc1cc(OC(=O)c2c(O)cc(OC(=O)c3c(O)cc(O)cc3CCC)cc2CCC)cc(O)c1C(O)=O
subset
- 3_STAR
synonym EXACT
- 4-({4-[(2,4-dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-6-propylbenzoyl}oxy)-2-hydroxy-6-pentylbenzoic acid
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:65718
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