Concept information
Preferred term
(2s,3s)-2-[(14r)-14-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C39H66O20
inchi
- InChI=1S/C39H66O20/c1-19(14-12-10-8-6-4-3-5-7-9-11-13-15-21-25(35(50)51)20(2)36(52)54-21)53-39-34(59-38-32(49)30(47)27(44)23(17-41)56-38)33(28(45)24(18-42)57-39)58-37-31(48)29(46)26(43)22(16-40)55-37/h19,21-34,37-49H,2-18H2,1H3,(H,50,51)/t19-,21+,22?,23?,24?,25+,26?,27?,28?,29?,30?,31?,32?,33?,34?,37?,38?,39?/m1/s1
inchikey
- MKURTYXIKASPFJ-OYNPUQFGSA-N
mass
- 854.937
monoisotopicmass
- 854.41474
smiles
- O=C1O[C@@H](CCCCCCCCCCCCC[C@H](OC2OC(C(O)C(C2OC3OC(C(O)C(C3O)O)CO)OC4OC(C(O)C(C4O)O)CO)CO)C)[C@H](C1=C)C(=O)O
subset
- 2_STAR
synonym EXACT
- (2S,3S)-2-[(14R)-14-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:200520
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