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Chemistry, part 1

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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 > [(1r,10r,11r,14s,15s)-5,10-dihydroxy-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] (e)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate
... > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > [(1r,10r,11r,14s,15s)-5,10-dihydroxy-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] (e)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > [(1r,10r,11r,14s,15s)-5,10-dihydroxy-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] (e)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate
organooxygen compound > carbonyl compound > carboxylic acid > indolyl carboxylic acid > [(1r,10r,11r,14s,15s)-5,10-dihydroxy-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] (e)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate
organooxygen compound > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > [(1r,10r,11r,14s,15s)-5,10-dihydroxy-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] (e)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > [(1r,10r,11r,14s,15s)-5,10-dihydroxy-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] (e)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > [(1r,10r,11r,14s,15s)-5,10-dihydroxy-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] (e)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate

Preferred term

[(1r,10r,11r,14s,15s)-5,10-dihydroxy-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] (e)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate  

Type

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

Broader concept

charge

  • 0

formula

  • C31H36N2O9S2

inchi

  • InChI=1S/C31H36N2O9S2/c1-7-15(2)24(35)16(3)25(36)17(4)27(38)42-21-11-12-41-14-18-13-30(43-5)28(39)33-23-19(9-8-10-20(23)34)26(37)31(33,44-6)29(40)32(30)22(18)21/h7-12,14,16-17,21-22,25-26,34,36-37H,13H2,1-6H3/b15-7+/t16?,17?,21-,22-,25?,26+,30+,31+/m0/s1

inchikey

  • NUNCDQJROUUESZ-UBQWZBIISA-N

mass

  • 644.750

monoisotopicmass

  • 644.18622

smiles

  • S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C(C(O)C(C(=O)/C(=C/C)/C)C)C)C=COC4)C=5C(O)=CC=CC5[C@H]2O)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,10R,11R,14S,15S)-5,10-dihydroxy-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] (E)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208700

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