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Chemistry, part 2

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Concept information

organooxygen compound > ether > cyclic ether > epoxide > (21s)-21-acetyl-1-hydroxy-apo-melianone
organooxygen compound > oxacycle > cyclic ether > epoxide > (21s)-21-acetyl-1-hydroxy-apo-melianone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > epoxide > (21s)-21-acetyl-1-hydroxy-apo-melianone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > epoxide > (21s)-21-acetyl-1-hydroxy-apo-melianone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > epoxide > (21s)-21-acetyl-1-hydroxy-apo-melianone
organooxygen compound > ester > carboxylic ester > acetate ester > (21s)-21-acetyl-1-hydroxy-apo-melianone
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > (21s)-21-acetyl-1-hydroxy-apo-melianone
... > 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 > (21s)-21-acetyl-1-hydroxy-apo-melianone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > (21s)-21-acetyl-1-hydroxy-apo-melianone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterohexacyclic compound > (21s)-21-acetyl-1-hydroxy-apo-melianone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterohexacyclic compound > (21s)-21-acetyl-1-hydroxy-apo-melianone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterohexacyclic compound > (21s)-21-acetyl-1-hydroxy-apo-melianone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > tetracyclic triterpenoid > (21s)-21-acetyl-1-hydroxy-apo-melianone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > tetracyclic triterpenoid > (21s)-21-acetyl-1-hydroxy-apo-melianone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > (21s)-21-acetyl-1-hydroxy-apo-melianone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > (21s)-21-acetyl-1-hydroxy-apo-melianone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > (21s)-21-acetyl-1-hydroxy-apo-melianone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > (21s)-21-acetyl-1-hydroxy-apo-melianone

Preferred term

(21s)-21-acetyl-1-hydroxy-apo-melianone  

Type

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

Broader concept

charge

  • 0

formula

  • C32H48O7

inchi

  • InChI=1S/C32H48O7/c1-16(33)37-27-17(13-19(38-27)26-29(4,5)39-26)18-9-10-20-30(18,6)12-11-21-31(20,7)24(35)14-22-28(2,3)23(34)15-25(36)32(21,22)8/h10,17-19,21-22,24-27,35-36H,9,11-15H2,1-8H3/t17-,18-,19+,21-,22-,24+,25?,26-,27+,30-,31-,32+/m0/s1

inchikey

  • KDBMZUSEVIPVDJ-IOFXMLJZSA-N

mass

  • 544.729

monoisotopicmass

  • 544.34000

smiles

  • C1(CC(C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)O)(C=4[C@@](CC3)([C@@](CC4)([C@@H]5C[C@@H](O[C@H]5OC(C)=O)[C@H]6C(C)(C)O6)[H])C)C)[H])C)[H])(C)C)=O)O

subset

  • 2_STAR

synonym EXACT

  • (21S)-21-acetyl-1-hydroxy-apo-melianone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:231465

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