Concept information
Preferred term
آپلیزیاتوکسین
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C32H47BrO10
has_role
- CHEBI:64018
- CHEBI:88048
- عامل سرطان زا
- متابولیت جلبکی
- متابولیت دریایی
inchi
- InChI=1S/C32H47BrO10/c1-17(8-11-24(39-7)22-12-21(35)9-10-23(22)33)29-19(3)26-15-32(42-29)30(5,6)14-18(2)31(38,43-32)16-28(37)40-25(20(4)34)13-27(36)41-26/h9-10,12,17-20,24-26,29,34-35,38H,8,11,13-16H2,1-7H3/t17-,18+,19-,20+,24-,25+,26?,29+,31-,32-/m0/s1
inchikey
- RHJPBGWFGOAEID-FAXOFGCBSA-N
mass
- 671.614
monoisotopicmass
- 670.23526
smiles
- [C@@]123O[C@]([C@H](C)CC1(C)C)(CC(O[C@@]([C@@H](C)O)(CC(OC(C2)[C@H](C)[C@](O3)([C@H](CC[C@@H](C=4C(=CC=C(C4)O)Br)OC)C)[H])=O)[H])=O)O
subset
- 3_STAR
synonym RELATED
- (1S,3R,4S,9R,13S,14R)-3-[(2S,5S)-5-(2-bromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-[(1R)-1-hydroxyethyl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1(1,5)]octadecane-7,11-dione
- ATX
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:80716
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