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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > macrolide > epothilone i2
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > epothilone i2
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > epothilone i2
... > 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 i2
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > epothilone i2
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > epothilone i2
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > epothilone i2
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > epothilone i2
... > 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 i2
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > epothilone i2
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > epothilone i2

Preferred term

epothilone i2  

Type

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

Broader concept

charge

  • 0

formula

  • C29H45NO5S

inchi

  • InChI=1S/C29H45NO5S/c1-18-12-10-8-9-11-13-24(19(2)15-23-17-36-22(5)30-23)35-26(32)16-25(31)29(6,7)28(34)21(4)27(33)20(3)14-18/h9,11,15,17-18,20-21,24-25,27,31,33H,8,10,12-14,16H2,1-7H3/b11-9-,19-15+/t18?,20-,21+,24-,25-,27-/m0/s1

inchikey

  • ZRXGTLZTTTXSFQ-FMVKWOPFSA-N

mass

  • 519.740

monoisotopicmass

  • 519.30184

smiles

  • S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@@H](C)CC(CCCC=CC2)C)C)(C)C)/C)C

subset

  • 2_STAR

synonym EXACT

  • (4S,7R,8S,9S,15Z,18S)-4,8-dihydroxy-5,5,7,9,11-pentamethyl-18-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclooctadec-15-ene-2,6-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205540

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