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Chemistry, part 1

Content language

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Concept information

organooxygen compound > hydroxy-fumonisin c1

Preferred term

hydroxy-fumonisin c1  

Type

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

Broader concept

charge

  • 0

formula

  • C33H57NO16

has_functional_parent

inchi

  • InChI=1S/C33H57NO16/c1-4-5-8-19(3)31(50-29(43)16-21(33(47)48)14-27(40)41)25(49-28(42)15-20(32(45)46)13-26(38)39)12-18(2)11-22(35)9-6-7-10-23(36)30(44)24(37)17-34/h18-25,30-31,35-37,44H,4-17,34H2,1-3H3,(H,38,39)(H,40,41)(H,45,46)(H,47,48)/t18-,19+,20?,21?,22+,23+,24+,25-,30?,31+/m0/s1

inchikey

  • FYZZDZVZFRCZJB-MQKWQYMLSA-N

mass

  • 723.810

monoisotopicmass

  • 723.36773

smiles

  • O([C@H]([C@H](OC(=O)CC(CC(O)=O)C(O)=O)[C@@H](CCCC)C)C[C@H](C[C@H](O)CCCC[C@@H](O)C(O)[C@H](O)CN)C)C(=O)CC(CC(O)=O)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • 2-[2-[(5R,6R,7S,9S,11R,16R,18R)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11,16,17,18-tetrahydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:189370

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