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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > steroid ester > 11-ketofusidic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid ester > 11-ketofusidic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid ester > 11-ketofusidic acid
... > 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 > steroid > steroid ester > 11-ketofusidic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid ester > 11-ketofusidic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid ester > 11-ketofusidic acid

Preferred term

11-ketofusidic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C31H46O6

inchi

  • InChI=1S/C31H46O6/c1-7-26(34)37-25-16-31(6)21-12-11-20-18(4)23(32)13-14-30(20,5)28(21)24(33)15-22(31)27(25)19(29(35)36)10-8-9-17(2)3/h9,18,20-23,25,28,32H,7-8,10-16H2,1-6H3,(H,35,36)/b27-19-/t18-,20?,21-,22-,23+,25-,28-,30-,31+/m0/s1

inchikey

  • ISLLRJYHCSQDTN-LFPDIBHUSA-N

mass

  • 514.703

monoisotopicmass

  • 514.32944

smiles

  • O([C@H]/1C[C@@]2([C@@]3([C@]([C@@]4(C(CC3)[C@@H]([C@H](O)CC4)C)C)(C(=O)C[C@]2(/C1=C(/CCC=C(C)C)/C(O)=O)[H])[H])[H])C)C(=O)CC

subset

  • 2_STAR

synonym EXACT

  • (2Z)-2-[(3R,4S,8S,9R,10S,13R,14R,16S)-3-hydroxy-4,10,14-trimethyl-11-oxo-16-propanoyloxy-2,3,4,5,6,7,8,9,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:183845

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