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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > graphiumin j
... > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > graphiumin j
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > graphiumin j
organooxygen compound > carbonyl compound > carboxylic acid > indolyl carboxylic acid > graphiumin j
organooxygen compound > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > graphiumin j
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > graphiumin j
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > graphiumin j

Preferred term

graphiumin j  

Type

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

Broader concept

charge

  • 0

formula

  • C28H34N2O7S2

inchi

  • InChI=1S/C28H34N2O7S2/c1-4-5-6-9-19(31)13-22(33)37-21-11-12-36-16-18-15-28(39-3)25(34)29-23-17(8-7-10-20(23)32)14-27(29,38-2)26(35)30(28)24(18)21/h7-8,10-12,16,19,21,24,31-32H,4-6,9,13-15H2,1-3H3/t19-,21-,24-,27+,28+/m0/s1

inchikey

  • RCKQRRQPDPVFFY-HNFVFRIRSA-N

mass

  • 574.710

monoisotopicmass

  • 574.18074

smiles

  • S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C[C@@H](O)CCCCC)C=COC4)C=5C(O)=CC=CC5C2)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,11R,14S,15S)-5-hydroxy-1,11-bis(methylsulanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-4(9),5,7,16,19-pentaen-15-yl] (3S)-3-hydroxyoctanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227739

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