loading...| Preferred Name | grayanotoxin I | |
| Synonyms |
(14R)-3beta,5,6beta,10,16-pentahydroxygrayanotoxan-14-yl acetate acetylandromedol rhodotoxin asebotoxin (3beta,6beta,14R)-Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate Perhydro-2beta,4alpha,8alpha,11beta,11abeta-pentahydroxy-1,1,4,8-tetramethyl-7,9a-methano-9aalphaH-cyclopenta(b)heptalen-12beta-yl acetate grayanotoxane-3,5,6,10,14,16-hexol 14-acetate C22H36O7 andromedotoxin Grayanotoxin I |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_5542 |
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| Definition |
A tetracyclic diterpenoid that is grayanotoxane in which the pro-R hydrogen at position 14 is substituted by an acetoxy group and in which the 3beta-, 5-, 6beta-, 10-, and 16- positions are substituted by hydroxy groups. |
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| has role |
http://purl.obolibrary.org/obo/CHEBI_51372 http://purl.obolibrary.org/obo/CHEBI_26619 |
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| InChI |
InChI=1S/C22H36O7/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17-,19-,20-,21+,22+/m1/s1 |
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| InChIKey |
InChIKey=NXCYBYJXCJWMRY-VGBBEZPXSA-N |
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| label |
grayanotoxin I |
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| prefixIRI |
obo2:CHEBI_5542 |
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| prefLabel |
grayanotoxin I |
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| SMILES |
[H][C@]12CC[C@H]3[C@@](C)(O)[C@]4([H])C[C@H](O)C(C)(C)[C@@]4(O)[C@H](O)C[C@@]3(C[C@@]1(C)O)[C@@H]2OC(C)=O |
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| Synonym |
(14R)-3beta,5,6beta,10,16-pentahydroxygrayanotoxan-14-yl acetate acetylandromedol rhodotoxin asebotoxin (3beta,6beta,14R)-Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate Perhydro-2beta,4alpha,8alpha,11beta,11abeta-pentahydroxy-1,1,4,8-tetramethyl-7,9a-methano-9aalphaH-cyclopenta(b)heptalen-12beta-yl acetate grayanotoxane-3,5,6,10,14,16-hexol 14-acetate C22H36O7 andromedotoxin Grayanotoxin I |
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| xref |
Beilstein:2065643 Reaxys:2065643 CASRN:4720-09-6 KEGG COMPOUND:C09103 CiteXplore:8481104 CiteXplore:4293525 |
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| subClassOf |