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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > pestaloquinol a
... > 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 polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > pestaloquinol a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > pestaloquinol a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > pestaloquinol a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > pestaloquinol a
... > 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 > organic heterotricyclic compound > pestaloquinol a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > pestaloquinol a
organooxygen compound > pestaloquinol a

Preferred term

pestaloquinol a  

Type

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

Broader concept

charge

  • 0

formula

  • C38H52O10

has_role

inchi

  • InChI=1S/C38H52O10/c1-7-9-11-13-19-23-24-25(30-37(32(47-37)27(24)41)16-22(40)35(5,6)46-30)31(44-19)38-18(17-43-20(26(23)38)14-12-10-8-2)29-36(33(48-36)28(38)42)15-21(39)34(3,4)45-29/h17,19-23,26,29-33,39-40H,7-16H2,1-6H3/t19-,20+,21+,22+,23-,26-,29+,30+,31+,32+,33+,36-,37-,38-/m1/s1

inchikey

  • QOGRHXMXZZVQKH-GYNGZHTOSA-N

mass

  • 668.81350

monoisotopicmass

  • 668.35605

smiles

  • [H][C@@]12O[C@@]11C[C@H](O)C(C)(C)O[C@@]1([H])C1=C(C2=O)[C@@]2([H])[C@@H](CCCCC)O[C@@H]1[C@]13C(=O)[C@]4([H])O[C@@]44C[C@H](O)C(C)(C)O[C@@]4([H])C1=CO[C@@H](CCCCC)[C@]23[H]

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70040

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