skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > hydroxybenzoic acid > juanlimycin b
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzoic acid > juanlimycin b
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzoic acid > juanlimycin b
organic aromatic compound > phenols > hydroxybenzoic acid > juanlimycin b
... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > juanlimycin b
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > juanlimycin b
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > juanlimycin b
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > juanlimycin b
organic aromatic compound > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > juanlimycin b

Preferred term

juanlimycin b  

Type

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

Broader concept

charge

  • 0

formula

  • C46H40N4O13

inchi

  • InChI=1S/C46H40N4O13/c1-22-8-12-36(55)31-19-28(53)21-34-40(31)46(44(63)48-34,50-32-6-4-3-5-29(32)42(60)61)38(57)14-10-23(2)7-11-35(54)30-18-27(52)20-33-39(30)45(43(62)47-33,37(56)13-9-22)49-25-15-24(41(58)59)16-26(51)17-25/h3-10,13-21,35-36,49-55H,11-12H2,1-2H3,(H,47,62)(H,48,63)(H,58,59)(H,60,61)/t35-,36-,45+,46-/m0/s1

inchikey

  • MWOJOCPPUCONTI-AJXVACPPSA-N

mass

  • 856.841

monoisotopicmass

  • 856.25919

smiles

  • O=C1C=CC(=CC[C@H](O)C2=C3C(NC([C@@]3(NC4=CC(O)=CC(=C4)C(=O)O)C(=O)C=CC(=CC[C@@H](C5=C6[C@]1(NC7=C(C(=O)O)C=CC=C7)C(=O)NC6=CC(=C5)O)O)C)=O)=CC(=C2)O)C

subset

  • 2_STAR

synonym EXACT

  • 3-[[(2S,9S,17S,24R)-24-(2-carboxyanilino)-2,14,17,29-tetrahydroxy-5,20-dimethyl-8,10,23,25-tetraoxo-11,26-diazapentacyclo[22.6.1.19,12.027,31.016,32]dotriaconta-1(31),4,6,12,14,16(32),19,21,27,29-decaen-9-yl]amino]-5-hydroxybenzoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198946

Download this concept:

RDF/XML TURTLE JSON-LD