Concept information
Preferred term
21 برومواسیلاتوکسین A
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C31H45BrO10
inchi
- InChI=1S/C31H45BrO10/c1-17(7-10-24(38-6)22-11-20(34)8-9-23(22)32)28-19(3)25-14-31(41-28)29(4,5)13-18(2)30(37,42-31)15-27(36)39-21(16-33)12-26(35)40-25/h8-9,11,17-19,21,24-25,28,33-34,37H,7,10,12-16H2,1-6H3/t17-,18+,19-,21+,24-,25-,28?,30-,31-/m0/s1
inchikey
- YOLKNISQJFUHRH-WNMMYCDTSA-N
mass
- 657.595
monoisotopicmass
- 656.21961
smiles
- BrC1=C(C=C(O)C=C1)[C@@H](OC)CC[C@@H](C2O[C@@]34O[C@](O)([C@H](C)CC3(C)C)CC(=O)O[C@H](CC(O[C@H]([C@@H]2C)C4)=O)CO)C
subset
- 2_STAR
synonym EXACT
- (1S,4S,5S,9R,13S,14R)-3-[(2S,5S)-5-(2-bromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-(hydroxymethyl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:225305
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