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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > macrolide > lipiarmycin b4
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > lipiarmycin b4
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > lipiarmycin b4
... > 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 > lipiarmycin b4
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > lipiarmycin b4
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > lipiarmycin b4
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > lipiarmycin b4
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > lipiarmycin b4
... > 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 > lipiarmycin b4
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > lipiarmycin b4
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > lipiarmycin b4

Preferred term

lipiarmycin b4  

Type

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

Broader concept

charge

  • 0

formula

  • C51H72Cl2O18

inchi

  • InChI=1S/C51H72Cl2O18/c1-13-30-21-25(5)32(55)17-15-14-16-31(22-65-49-43(64-12)39(58)42(29(9)66-49)68-48(63)34-27(7)35(52)38(57)36(53)37(34)56)47(62)67-33(28(8)54)19-18-24(4)20-26(6)41(30)70-50-44(69-46(61)23(2)3)40(59)45(60)51(10,11)71-50/h14-16,18,20-21,23,28-30,32-33,39-45,49-50,54-60H,13,17,19,22H2,1-12H3/b15-14+,24-18+,25-21+,26-20+,31-16+/t28?,29-,30?,32?,33?,39+,40?,41-,42-,43+,44-,45-,49-,50+/m1/s1

inchikey

  • KMJBEFSQYOVASP-QCJIBUGXSA-N

mass

  • 1044.020

monoisotopicmass

  • 1042.40957

smiles

  • ClC1=C(O)C(Cl)=C(C)C(=C1O)C(=O)O[C@H]2[C@H](O)[C@H](OC)[C@H](OCC=3C(=O)OC(C(O)C)CC=C(C=C([C@@H](O[C@H]4OC([C@H](O)C([C@H]4OC(=O)C(C)C)O)(C)C)C(C=C(C(CC=CC3)O)C)CC)C)C)O[C@@H]2C

subset

  • 2_STAR

synonym EXACT

  • [(2R,3S,4S,5S,6R)-6-[[(3E,5E,9E,12S,13E,15E)-12-[(2S,3R,5R)-4,5-dihydroxy-6,6-dimethyl-3-(2-methylpropanoyloxy)oxan-2-yl]oxy-11-ethyl-8-hydroxy-18-(1-hydroxyethyl)-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2,4-dihydroxy-6-methylbenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222166

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