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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > terpene lactone > pyrrhoxanthin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene lactone > pyrrhoxanthin
... > organooxygen compound > ester > carboxylic ester > lactone > terpene lactone > pyrrhoxanthin
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > pyrrhoxanthin
... > 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 > terpene lactone > pyrrhoxanthin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > pyrrhoxanthin
organooxygen compound > ester > lactone > terpene lactone > pyrrhoxanthin
organooxygen compound > oxacycle > lactone > terpene lactone > pyrrhoxanthin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > pyrrhoxanthin
... > 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 > terpene lactone > pyrrhoxanthin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > pyrrhoxanthin

Preferred term

pyrrhoxanthin  

Type

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

Broader concept

charge

  • 0

formula

  • C39H48O6

inchi

  • InChI=1S/C39H48O6/c1-26(16-17-34-28(3)21-33(43-29(4)40)25-36(34,5)6)14-12-10-11-13-15-27(2)20-32-22-30(35(42)44-32)18-19-39-37(7,8)23-31(41)24-38(39,9)45-39/h10-15,18-20,22,31,33,41H,21,23-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,32-20-/t31-,33+,38+,39-/m0/s1

inchikey

  • YDSRGWPRPWTZCK-CHOIYNEVSA-N

mass

  • 612.807

monoisotopicmass

  • 612.34509

smiles

  • O1[C@@]2([C@]1(C[C@@H](O)CC2(C)C)C)/C=C/C3=C/C(/OC3=O)=C/C(/C)=C/C=C/C=C/C=C(/C#CC=4C(C[C@H](OC(=O)C)CC4C)(C)C)/C

subset

  • 2_STAR

synonym EXACT

  • [(1R)-4-[(3E,5E,7E,9E,11Z)-11-[4-[(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]-5-oxouran-2-ylidene]-3,10-dimethylundeca-3,5,7,9-tetraen-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:166690

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