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Chemistry, part 2

Content language

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Concept information

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

Preferred term

aldgamycin j  

Type

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

Broader concept

charge

  • 0

formula

  • C36H60O15

inchi

  • InChI=1S/C36H60O15/c1-17-10-13-26(39)48-20(4)23(16-46-33-31(45-9)30(44-8)27(40)21(5)49-33)29-24(50-29)11-12-25(38)35(7,42)14-18(2)28(17)51-34-32(41)36(43,22(6)37)15-19(3)47-34/h10,13,17-24,27-34,37,40-43H,11-12,14-16H2,1-9H3/b13-10+/t17-,18-,19+,20+,21+,22-,23+,24-,27+,28+,29-,30+,31+,32-,33+,34-,35-,36-/m0/s1

inchikey

  • BJQCORCDYPATKL-JTVPIPBQSA-N

mass

  • 732.861

monoisotopicmass

  • 732.39322

smiles

  • O=C1O[C@@H]([C@H]([C@@H]2O[C@H]2CCC(=O)[C@](C[C@@H]([C@@H]([C@H](C=C1)C)O[C@@H]3O[C@@H](C[C@]([C@H]3O)(O)[C@@H](O)C)C)C)(O)C)CO[C@@H]4O[C@@H]([C@@H](O)[C@H]([C@H]4OC)OC)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,2R,3R,6E,8S,9S,10S,12S,16S)-9-[(2S,3R,4S,6R)-3,4-dihydroxy-4-[(1S)-1-hydroxyethyl]-6-methyloxan-2-yl]oxy-12-hydroxy-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-6-ene-5,13-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205887

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