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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > tertiary alcohol > grayanotoxin i
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > grayanotoxin i
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > secondary alcohol > grayanotoxin i
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > grayanotoxin i
organooxygen compound > ester > carboxylic ester > acetate ester > grayanotoxin i
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > grayanotoxin i
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > grayanotoxin i
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > grayanotoxin i
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > tetracyclic diterpenoid > grayanotoxin i
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > tetracyclic diterpenoid > grayanotoxin i

Preferred term

grayanotoxin i  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C22H36O7

has_parent_hydride

has_role

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

inchikey

  • NXCYBYJXCJWMRY-VGBBEZPXSA-N

mass

  • 412.51704

monoisotopicmass

  • 412.24610

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

subset

  • 3_STAR

synonym EXACT

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

synonym RELATED

  • (3beta,6beta,14R)-Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate
  • acetylandromedol
  • andromedotoxin
  • asebotoxin
  • 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
  • rhodotoxin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:5542

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