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BioModels Ontology
Last uploaded:
April 3, 2012
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| Id | http://purl.obolibrary.org/obo/CHEBI_2430
http://purl.obolibrary.org/obo/CHEBI_2430
|
|---|---|
| Preferred Name | aconitine |
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| label |
aconitine
|
|---|---|
| prefLabel |
aconitine
|
| has functional parent | |
| prefixIRI |
CHEBI:2430
|
| subClassOf | |
| type | |
| alternative term |
[H][C@]12C[C@]3(O)[C@@H](OC)[C@H](O)[C@](OC(C)=O)([C@@]4([H])[C@H](OC)[C@]5([H])[C@]6(COC)CN(CC)C4[C@]15[C@H](C[C@H]6O)OC)[C@@]2([H])[C@H]3OC(=O)c1ccccc1
InChIKey=XFSBVAOIAHNAPC-XTHSEXKGSA-N
20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diyl 8-acetate 14-benzoate
InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1
16-Ethyl-1alpha,6alpha,19beta-trimethoxy-4-(methoxymethyl)-aconitane-3alpha,8,10alpha,11,18alpha-pentol, 8-acetate 10-benzoate
Aconitine
C34H47NO11
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