BioModels Ontology

Last uploaded: April 3, 2012
Preferred Name

grayanotoxin I
Synonyms
ID

http://purl.obolibrary.org/obo/CHEBI_5542

alternative term

InChIKey=NXCYBYJXCJWMRY-VGBBEZPXSA-N

Grayanotoxin I

C22H36O7

(3beta,6beta,14R)-Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate

[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

(14R)-3beta,5,6beta,10,16-pentahydroxygrayanotoxan-14-yl acetate

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

has parent hydride

http://purl.obolibrary.org/obo/CHEBI_36614

label

grayanotoxin I

prefixIRI

CHEBI:5542

prefLabel

grayanotoxin I

subClassOf

http://www.w3.org/2002/07/owl#Thing

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