Concept information
...
organic molecular entity
organic hydroxy compound
alpha-hydroxy ketone
tertiary alpha-hydroxy ketone
...
organic cyclic compound
organic heterocyclic compound
organic heteropolycyclic compound
organic heteropentacyclic compound
...
organic cyclic compound
organic heterocyclic compound
organic heteropolycyclic compound
organic heteropentacyclic compound
Preferred term
resiniferatoxin
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C37H40O9
has_role
- analgesic
- CHEBI:140535
- neurotoxin
- plant metabolite
inchi
- InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1
inchikey
- DSDNAKHZNJAGHN-MXTYGGKSSA-N
mass
- 628.718
monoisotopicmass
- 628.26723
smiles
- C=1(C=C(C(=CC1)O)OC)CC(OCC2=C[C@@]3([C@]4([C@]5([C@](C2)(C(=O)C(=C5)C)O)[H])O[C@]6(O[C@@]([C@@]3(O6)[H])(C(=C)C)C[C@H]4C)CC=7C=CC=CC7)[H])=O
subset
- 3_STAR
synonym EXACT
- [(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-2-benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3a,6,6a,7,9a,10,11,11a-octahydro-3bH-2,9b-epoxyazuleno[4',5':5,6]benzo[1,2-d][1,3]dioxol-5-yl]methyl (4-hydroxy-3-methoxyphenyl)acetate
- resiniferatoxin
synonym RELATED
- (+)-resiniferatoxin
- RTX
In other languages
-
Persian
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:8809
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