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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > macrolide > epothilone a1
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > epothilone a1
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > epothilone a1
... > 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 > epothilone a1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > epothilone a1
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > epothilone a1
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > epothilone a1
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > epothilone a1
... > 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 > epothilone a1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > epothilone a1
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > epothilone a1

Preferred term

epothilone a1  

Type

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

Broader concept

charge

  • 0

formula

  • C25H37NO6S

inchi

  • InChI=1S/C25H37NO6S/c1-13-7-6-8-20-22(31-20)11-21(14(2)9-18-12-33-17(5)26-18)32-23(28)10-19(27)15(3)25(30)16(4)24(13)29/h9,12-13,15-16,19-22,24,27,29H,6-8,10-11H2,1-5H3/b14-9+/t13-,15?,16+,19-,20+,21-,22-,24-/m0/s1

inchikey

  • XBRMHTMQENGRNB-JDFPFZRWSA-N

mass

  • 479.630

monoisotopicmass

  • 479.23416

smiles

  • S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@H](CCC[C@@H]3[C@H](C2)O3)C)C)C)/C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,10,12-trimethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203024

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