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Chemistry, part 1

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Concept information

organooxygen compound > hansforester i

Preferred term

hansforester i  

Type

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

Broader concept

charge

  • 0

formula

  • C30H36O14

has_functional_parent

inchi

  • InChI=1S/C30H36O14/c1-14(31)5-20(32)10-19-11-22(34)13-24(36)28(19)30(41)44-17(4)8-26(39)42-15(2)6-18-9-21(33)12-23(35)27(18)29(40)43-16(3)7-25(37)38/h9,11-17,31,33-36H,5-8,10H2,1-4H3,(H,37,38)/t14-,15-,16-,17-/m1/s1

inchikey

  • NDOHHEDAXKQGBY-QBPKDAKJSA-N

mass

  • 620.604

monoisotopicmass

  • 620.21051

smiles

  • O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@@H](CC(=O)O)C)C)C)C2=C(O)C=C(O)C=C2CC(=O)C[C@H](O)C

subset

  • 2_STAR

synonym EXACT

  • (3R)-3-[2-[(2R)-2-[(3R)-3-[2,4-dihydroxy-6-[(4R)-4-hydroxy-2-oxopentyl]benzoyl]oxybutanoyl]oxypropyl]-4,6-dihydroxybenzoyl]oxybutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208680

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