Concept information
...
organic cyclic compound
organic polycyclic compound
organic tricyclic compound
organic heterotricyclic compound
...
organic cyclic compound
organic polycyclic compound
organic tricyclic compound
organic heterotricyclic compound
...
organic cyclic compound
organic polycyclic compound
organic tricyclic compound
organic heterotricyclic compound
...
polycyclic compound
organic polycyclic compound
organic tricyclic compound
organic heterotricyclic compound
...
organic cyclic compound
organic heterocyclic compound
organic heteropolycyclic compound
organic heterotricyclic compound
...
organic cyclic compound
organic heterocyclic compound
organic heteropolycyclic compound
organic heterotricyclic compound
Preferred term
19-bromoaplysiatoxin
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C32H46Br2O10
has_role
- carcinogenic agent
- CHEBI:88048
- marine metabolite
inchi
- InChI=1S/C32H46Br2O10/c1-16(8-9-24(40-7)20-10-23(36)22(34)11-21(20)33)29-18(3)26-14-32(43-29)30(5,6)13-17(2)31(39,44-32)15-28(38)41-25(19(4)35)12-27(37)42-26/h10-11,16-19,24-26,29,35-36,39H,8-9,12-15H2,1-7H3/t16-,17+,18-,19+,24-,25+,26?,29+,31-,32-/m0/s1
inchikey
- PIULICRFTROOFA-IPNHEGHDSA-N
mass
- 750.510
monoisotopicmass
- 748.14577
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)Br)OC)C)[H])=O)[H])=O)O
subset
- 3_STAR
synonym EXACT
- (1S,3R,4S,9R,13S,14R)-3-[(2S,5S)-5-(2,4-dibromo-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
In other languages
-
Persian
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:80717
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