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Chemistry, part 2

Content language

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Concept information

organooxygen compound > polyketide > macrolide > 1'14-dihydroxyisochainin
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > 1'14-dihydroxyisochainin
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 1'14-dihydroxyisochainin
... > 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 > lactone > macrocyclic lactone > macrolide > 1'14-dihydroxyisochainin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 1'14-dihydroxyisochainin
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > 1'14-dihydroxyisochainin
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > 1'14-dihydroxyisochainin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > 1'14-dihydroxyisochainin
... > 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 > lactone > macrocyclic lactone > macrolide > 1'14-dihydroxyisochainin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > 1'14-dihydroxyisochainin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > 1'14-dihydroxyisochainin

Preferred term

1'14-dihydroxyisochainin  

Type

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

Broader concept

charge

  • 0

formula

  • C33H54O12

inchi

  • InChI=1S/C33H54O12/c1-4-12-27(39)30-28(40)18-24(36)16-22(34)15-23(35)17-25(37)19-29(41)32(43)31(42)20(2)13-10-8-6-5-7-9-11-14-26(38)21(3)45-33(30)44/h5-11,13-14,21-32,34-43H,4,12,15-19H2,1-3H3/b6-5+,9-7+,10-8+,14-11+,20-13-/t21-,22-,23+,24+,25+,26-,27-,28+,29+,30+,31-,32?/m0/s1

inchikey

  • MELIVMKAQSVXIP-WXPXFEISSA-N

mass

  • 642.783

monoisotopicmass

  • 642.36153

smiles

  • O=C1O[C@H]([C@@H](O)C=CC=CC=CC=CC=C([C@H](O)C([C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@H](C[C@H]([C@H]1[C@@H](O)CCC)O)O)O)O)O)O)O)C)C

subset

  • 2_STAR

synonym EXACT

  • (3R,4R,6R,8S,10R,12R,14R,16S,17Z,19E,21E,23E,25E,27S,28S)-4,6,8,10,12,14,15,16,27-nonahydroxy-3-[(1S)-1-hydroxybutyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224687

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