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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 aromatic compound > phenylpropanoid > cinnamate ester > isograndidentatin b
... > 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 aromatic compound > phenylpropanoid > cinnamate ester > isograndidentatin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > isograndidentatin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enoate ester > cinnamate ester > isograndidentatin b

Preferred term

isograndidentatin b  

Type

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

Broader concept

charge

  • 0

formula

  • C21H28O9

inchi

  • InChI=1S/C21H28O9/c22-11-16-20(30-17(25)10-7-12-5-8-13(23)9-6-12)18(26)19(27)21(29-16)28-15-4-2-1-3-14(15)24/h5-10,14-16,18-24,26-27H,1-4,11H2/b10-7+/t14-,15+,16+,18+,19+,20+,21+/m0/s1

inchikey

  • TZWAFPWWIBLZIV-UFIIWJGOSA-N

mass

  • 424.442

monoisotopicmass

  • 424.17333

smiles

  • O[C@@H]1[C@@H](O)[C@@H]([C@H](O[C@H]1O[C@@H]2CCCC[C@@H]2O)CO)OC(=O)/C=C/C3=CC=C(C=C3)O

subset

  • 2_STAR

synonym RELATED

  • (1R,2S)-2-hydroxycyclohexyl 4-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:137516

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