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Content language

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Concept information

ترکیب اکسیژن ارگانیک > کلکارید D

Preferred term

کلکارید D  

Type

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

Broader concept

charge

  • 0

formula

  • C33H42O16

has_functional_parent

inchi

  • InChI=1S/C33H42O16/c1-16(47-29(42)13-23(36)15-34)6-20-10-22(35)12-25(37)30(20)32(43)49-19(4)9-28(41)46-17(2)7-21-11-24(45-5)14-26(38)31(21)33(44)48-18(3)8-27(39)40/h10-12,14,16-19,23,34-38H,6-9,13,15H2,1-5H3,(H,39,40)/t16-,17-,18-,19-,23+/m1/s1

inchikey

  • UIVWEKMYYMKGGR-HEKOCPBTSA-N

mass

  • 694.683

monoisotopicmass

  • 694.24729

smiles

  • O=C(O[C@@H](CC(=O)O)C)C1=C(O)C=C(OC)C=C1C[C@H](OC(=O)C[C@H](OC(=O)C2=C(O)C=C(O)C=C2C[C@H](OC(=O)C[C@H](O)CO)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (3R)-3-[2-[(2R)-2-[(3R)-3-[2-[(2R)-2-[(3S)-3,4-dihydroxybutanoyl]oxypropyl]-4,6-dihydroxybenzoyl]oxybutanoyl]oxypropyl]-6-hydroxy-4-methoxybenzoyl]oxybutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200489

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