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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > benzofurans > pestalotiopene c
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > pestalotiopene c
... > 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 > benzofurans > pestalotiopene c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > pestalotiopene c
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzofurans > pestalotiopene c
... > 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 > organic heteropolycyclic compound > benzofurans > pestalotiopene c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzofurans > pestalotiopene c

Preferred term

pestalotiopene c  

Type

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

Broader concept

charge

  • 0

formula

  • C27H35ClO10

inchi

  • InChI=1S/C27H35ClO10/c1-24(2)15(28)7-8-25(3)20(21(31)32)26(4,9-10-27(24,25)34)37-12-14-18(30)13(11-29)16-17(19(14)35-5)22(33)38-23(16)36-6/h11,15,20,23,30,34H,7-10,12H2,1-6H3,(H,31,32)/t15-,20+,23-,25+,26+,27+/m0/s1

inchikey

  • OYRFHCZDEIRGOU-AKXKAVLESA-N

mass

  • 555.020

monoisotopicmass

  • 554.19187

smiles

  • Cl[C@@H]1C([C@@]2(O)[C@]([C@@H](C(=O)O)[C@@](OCC3=C(O)C(=C4[C@@H](OC)OC(C4=C3OC)=O)C=O)(C)CC2)(C)CC1)(C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,2R,4aS,6S,8aR)-6-chloro-2-[[(1S)-7-ormyl-6-hydroxy-1,4-dimethoxy-3-oxo-1H-2-benzouran-5-yl]methoxy]-4a-hydroxy-2,5,5,8a-tetramethyl-1,3,4,6,7,8-hexahydronaphthalene-1-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218166

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