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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > n-(2,3-dihydroxybenzoyl)-l-seryl-[n-(c-5-[deoxy-beta-d-glucosyl]-2,3-dihydroxybenzoyl)-l-serine]2

Preferred term

n-(2,3-dihydroxybenzoyl)-l-seryl-[n-(c-5-[deoxy-beta-d-glucosyl]-2,3-dihydroxybenzoyl)-l-serine]2  

Type

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

Broader concept

charge

  • -1

formula

  • C42H48N3O26

inchi

  • InChI=1S/C42H49N3O26/c46-8-18(43-37(61)15-2-1-3-21(49)26(15)52)41(66)69-12-20(45-39(63)17-5-14(7-23(51)28(17)54)36-34(60)32(58)30(56)25(10-48)71-36)42(67)68-11-19(40(64)65)44-38(62)16-4-13(6-22(50)27(16)53)35-33(59)31(57)29(55)24(9-47)70-35/h1-7,18-20,24-25,29-36,46-60H,8-12H2,(H,43,61)(H,44,62)(H,45,63)(H,64,65)/p-1/t18-,19-,20-,24+,25+,29+,30+,31-,32-,33+,34+,35-,36-/m0/s1

inchikey

  • KOWIASWMTAELML-VUCKQUTDSA-M

mass

  • 1010.842

monoisotopicmass

  • 1010.25315

smiles

  • C([C@H](CO)NC(=O)C1=C(C(=CC=C1)O)O)(OC[C@@H](C(OC[C@@H](C([O-])=O)NC(=O)C2=C(C(=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)=O)NC(=O)C4=C(C(=CC(=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)=O

subset

  • 2_STAR

synonym EXACT

  • N-(2,3-dihydroxybenzoyl)-L-seryl-[N-(C-5-[deoxy-beta-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]2

synonym RELATED

  • salmochelin S2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:143022

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