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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > macrolide > tan-1323c
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > tan-1323c
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > tan-1323c
... > 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 > tan-1323c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > tan-1323c
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > tan-1323c
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > tan-1323c
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > tan-1323c
... > 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 > tan-1323c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > tan-1323c
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > tan-1323c

Preferred term

tan-1323c  

Type

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

Broader concept

charge

  • 0

formula

  • C45H74O14

inchi

  • InChI=1S/C45H74O14/c1-13-16-32-27(7)35(57-44-41(51)40(50)39(49)30(10)56-44)22-45(53,59-32)29(9)38(48)28(8)42-33(54-11)18-15-17-23(3)19-25(5)36(46)31(14-2)37(47)26(6)20-24(4)21-34(55-12)43(52)58-42/h13,15-18,20-21,25-33,35-42,44,46-51,53H,14,19,22H2,1-12H3/b16-13+,18-15+,23-17+,24-20+,34-21-/t25-,26-,27-,28+,29+,30+,31+,32-,33+,35-,36+,37-,38-,39+,40-,41-,42-,44+,45-/m1/s1

inchikey

  • ILXDBTYMIBFXON-BQGARLQOSA-N

mass

  • 839.073

monoisotopicmass

  • 838.50786

smiles

  • O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H](C)[C@@H]([C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)CC)O)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@H](/C=C/C)[C@@H](C)[C@@H](C2)O[C@@H]3O[C@H]([C@H](O)[C@H]([C@H]3O)O)C)O)C)C

subset

  • 2_STAR

synonym EXACT

  • (3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-9-ethyl-8,10-dihydroxy-18-[(2S,3R,4S)-3-hydroxy-4-[(2R,4R,5S,6R)-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]pentan-2-yl]-3,17-dimethoxy-5,7,11,13-tetramethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213790

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